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63480-11-5,MFCD03426400
Catalog No.:AA00EALP

63480-11-5 | 4-Methyl-isatoic anhydride

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$33.00   $23.00
- +
5g
97%
in stock  
$162.00   $114.00
- +
25g
97%
in stock  
$766.00 $536.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00EALP
Chemical Name:
4-Methyl-isatoic anhydride
CAS Number:
63480-11-5
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD03426400
SMILES:
Cc1ccc2c(c1)[nH]c(=O)oc2=O
Properties
Properties
 
Form:
Solid  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
251  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.1  

Downstream Synthesis Route

[1]Niementowski;Rozanski[ChemischeBerichte,1889,vol.22,p.1673,1674]

[2]Lee,Ansoo;Zhu,JoshuaL.;Feoktistova,Taisiia;Brueckner,AlexanderC.;Cheong,PaulH.-Y.;Scheidt,KarlA.[AngewandteChemie-InternationalEdition,2019,vol.58,#18,p.5941-5945][Angew.Chem.,2019,vol.131,#18,p.6002-6006,5]

[1]Bauer[ChemischeBerichte,1909,vol.42,p.2110]

[2]Mitscher;Gracey;ClarkIIISuzuki[JournalofMedicinalChemistry,1978,vol.21,#5,p.485-489]

[3]Khalifa,MuhammadM.;Philkhana,SatishChandra;Golden,JenniferE.[JournalofOrganicChemistry,2020,vol.85,#2,p.464-481]

[1]Arzneimittel-Forschung/DrugResearch,1977,vol.27,p.766-770

[1]Mitscher;Gracey;ClarkIIISuzuki[JournalofMedicinalChemistry,1978,vol.21,#5,p.485-489]

[1]Reisner;Ludwig;Simon;Dejneka;Sofia[Arzneimittel-Forschung/DrugResearch,1977,vol.27,#4,p.766-770]

Literature
Quotation Request
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SDS
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Tags:63480-11-5 Molecular Formula|63480-11-5 MDL|63480-11-5 SMILES|63480-11-5 4-Methyl-isatoic anhydride
Catalog No.: AA00EALP
63480-11-5,MFCD03426400
63480-11-5 | 4-Methyl-isatoic anhydride
Pack Size： 1g
Purity： 97%
in stock
$33.00 $23.00
Pack Size： 5g
Purity： 97%
in stock
$162.00 $114.00
Pack Size： 25g
Purity： 97%
in stock
$766.00 $536.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00EALP
Chemical Name: 4-Methyl-isatoic anhydride
CAS Number: 63480-11-5
Molecular Formula: C9H7NO3
Molecular Weight: 177.1568
MDL Number: MFCD03426400
SMILES: Cc1ccc2c(c1)[nH]c(=O)oc2=O
Properties
Form: Solid  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 251  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.1  
Downstream Synthesis Route
541-41-3    2305-36-4    63480-11-5 

[1]Niementowski;Rozanski[ChemischeBerichte,1889,vol.22,p.1673,1674]

[2]Lee,Ansoo;Zhu,JoshuaL.;Feoktistova,Taisiia;Brueckner,AlexanderC.;Cheong,PaulH.-Y.;Scheidt,KarlA.[AngewandteChemie-InternationalEdition,2019,vol.58,#18,p.5941-5945][Angew.Chem.,2019,vol.131,#18,p.6002-6006,5]

75-44-5    2305-36-4    63480-11-5 

[1]Bauer[ChemischeBerichte,1909,vol.42,p.2110]

[2]Mitscher;Gracey;ClarkIIISuzuki[JournalofMedicinalChemistry,1978,vol.21,#5,p.485-489]

[3]Khalifa,MuhammadM.;Philkhana,SatishChandra;Golden,JenniferE.[JournalofOrganicChemistry,2020,vol.85,#2,p.464-481]

1192-07-0    63480-11-5    63480-01-3 

[1]Arzneimittel-Forschung/DrugResearch,1977,vol.27,p.766-770

63480-11-5    75-03-6    50332-62-2 

[1]Mitscher;Gracey;ClarkIIISuzuki[JournalofMedicinalChemistry,1978,vol.21,#5,p.485-489]

63480-11-5    37795-78-1 

[1]Reisner;Ludwig;Simon;Dejneka;Sofia[Arzneimittel-Forschung/DrugResearch,1977,vol.27,#4,p.766-770]

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