77423-14-4,MFCD00798181
Catalog No.:AA005MHW

77423-14-4 | 4-Carboxylic-isatoic anhydride

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$182.00   $128.00
- +
1g
96%
in stock  
$218.00   $153.00
- +
5g
96%
in stock  
$853.00 $597.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA005MHW
Chemical Name:
4-Carboxylic-isatoic anhydride
CAS Number:
77423-14-4
Molecular Formula:
C9H5NO5
Molecular Weight:
207.1397
MDL Number:
MFCD00798181
SMILES:
O=c1[nH]c2cc(ccc2c(=O)o1)C(=O)O
Properties
Properties
 
Form:
Solid  
MP:
347.0℃  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
327  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.5  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1995,vol.38,p.1493-1504

[2]Patent:WO2017/136450,2017,A2.Locationinpatent:Paragraph00331;00332

[3]OrganicLetters,2011,vol.13,p.486-489

[4]Patent:WO2012/59442,2012,A2.Locationinpatent:Page/Pagecolumn69

[5]Patent:WO2018/6074,2018,A2.Locationinpatent:Paragraph00391;00392

[6]Patent:WO2020/41344,2020,A1.Locationinpatent:Paragraph0071

[1]AngewandteChemie-InternationalEdition,2012,vol.51,p.6502-6505

Literature
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SDS
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Tags:77423-14-4 Molecular Formula|77423-14-4 MDL|77423-14-4 SMILES|77423-14-4 4-Carboxylic-isatoic anhydride
Catalog No.: AA005MHW
77423-14-4,MFCD00798181
77423-14-4 | 4-Carboxylic-isatoic anhydride
Pack Size: 250mg
Purity: 98%
in stock
$182.00 $128.00
Pack Size: 1g
Purity: 96%
in stock
$218.00 $153.00
Pack Size: 5g
Purity: 96%
in stock
$853.00 $597.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA005MHW
Chemical Name: 4-Carboxylic-isatoic anhydride
CAS Number: 77423-14-4
Molecular Formula: C9H5NO5
Molecular Weight: 207.1397
MDL Number: MFCD00798181
SMILES: O=c1[nH]c2cc(ccc2c(=O)o1)C(=O)O
Properties
Form: Solid  
MP: 347.0℃  
Storage: Keep in dry area;2-8℃;  
Complexity: 327  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.5  
Downstream Synthesis Route
32315-10-9    10312-55-7    77423-14-4 

[1]JournalofMedicinalChemistry,1995,vol.38,p.1493-1504

[2]Patent:WO2017/136450,2017,A2.Locationinpatent:Paragraph00331;00332

[3]OrganicLetters,2011,vol.13,p.486-489

[4]Patent:WO2012/59442,2012,A2.Locationinpatent:Page/Pagecolumn69

[5]Patent:WO2018/6074,2018,A2.Locationinpatent:Paragraph00391;00392

[6]Patent:WO2020/41344,2020,A1.Locationinpatent:Paragraph0071

64-17-5    77423-14-4    218590-81-9 

[1]AngewandteChemie-InternationalEdition,2012,vol.51,p.6502-6505

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