Home Carboxys 3-Methylquinoxaline-5-carboxylic acid

3-Methylquinoxaline-5-carboxylic acid

CAS No.:
904813-39-4
Catalog Number:
AG00GSXX
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
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Product Description
Catalog Number:
AG00GSXX
Chemical Name:
3-Methylquinoxaline-5-carboxylic acid
CAS Number:
904813-39-4
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD06245384
IUPAC Name:
3-methylquinoxaline-5-carboxylic acid
InChI:
InChI=1S/C10H8N2O2/c1-6-5-11-8-4-2-3-7(10(13)14)9(8)12-6/h2-5H,1H3,(H,13,14)
InChI Key:
KLUVEPWBUKWVHI-UHFFFAOYSA-N
SMILES:
Cc1cnc2c(n1)c(ccc2)C(=O)O
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties