Home Carboxys 2-Methyl-1H-indole-4-carboxylic acid

2-Methyl-1H-indole-4-carboxylic acid

CAS No.:
34058-50-9
Catalog Number:
AG00C6S2
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
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Product Description
Catalog Number:
AG00C6S2
Chemical Name:
2-Methyl-1H-indole-4-carboxylic acid
CAS Number:
34058-50-9
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
IUPAC Name:
2-methyl-1H-indole-4-carboxylic acid
InChI:
InChI=1S/C10H9NO2/c1-6-5-8-7(10(12)13)3-2-4-9(8)11-6/h2-5,11H,1H3,(H,12,13)
InChI Key:
NUBJHNKCWFUFKW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1cc([nH]2)C
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties