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167299-68-5,MFCD07363803
Catalog No.:AA001X72

167299-68-5 | 3-Methoxycarbonyl-5-methylbenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$56.00   $39.00
- +
1g
98%
in stock  
$98.00   $68.00
- +
5g
96%
in stock  
$329.00   $230.00
- +
25g
96%
in stock  
$1,043.00 $730.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001X72
Chemical Name:
3-Methoxycarbonyl-5-methylbenzoic acid
CAS Number:
167299-68-5
Molecular Formula:
C10H9O4-
Molecular Weight:
193.1761
MDL Number:
MFCD07363803
SMILES:
COC(=O)c1cc(C)cc(c1)C(=O)[O-]
Properties
Properties
 
BP:
356.8±30.0°C at 760 mmHg  
Form:
Solid  
MP:
154-158 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
236  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.2  

Downstream Synthesis Route
167299-68-5    17875-18-2   
C14H17NO3 

[1]BioorganicandMedicinalChemistry,2012,vol.20,p.4377-4389

[1]Patent:WO2017/66742,2017,A1.Locationinpatent:Paragraph0140;0142

[2]EuropeanJournalofMedicinalChemistry,2019,vol.163,p.344-352

Literature
Quotation Request
Company Name:
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Additional Info:
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SDS
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Tags:167299-68-5 Molecular Formula|167299-68-5 MDL|167299-68-5 SMILES|167299-68-5 3-Methoxycarbonyl-5-methylbenzoic acid
Catalog No.: AA001X72
167299-68-5,MFCD07363803
167299-68-5 | 3-Methoxycarbonyl-5-methylbenzoic acid
Pack Size： 250mg
Purity： 98%
in stock
$56.00 $39.00
Pack Size： 1g
Purity： 98%
in stock
$98.00 $68.00
Pack Size： 5g
Purity： 96%
in stock
$329.00 $230.00
Pack Size： 25g
Purity： 96%
in stock
$1,043.00 $730.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA001X72
Chemical Name: 3-Methoxycarbonyl-5-methylbenzoic acid
CAS Number: 167299-68-5
Molecular Formula: C10H9O4-
Molecular Weight: 193.1761
MDL Number: MFCD07363803
SMILES: COC(=O)c1cc(C)cc(c1)C(=O)[O-]
Properties
BP: 356.8±30.0°C at 760 mmHg  
Form: Solid  
MP: 154-158 °C  
Storage: Keep in dry area;2-8℃;  
Complexity: 236  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.2  
Downstream Synthesis Route
167299-68-5    17875-18-2   
C14H17NO3 

[1]BioorganicandMedicinalChemistry,2012,vol.20,p.4377-4389

17649-58-0    167299-68-5 

[1]Patent:WO2017/66742,2017,A1.Locationinpatent:Paragraph0140;0142

[2]EuropeanJournalofMedicinalChemistry,2019,vol.163,p.344-352

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