Home Carboxys 4-methyl-1H-indole-6-carboxylic acid

4-methyl-1H-indole-6-carboxylic acid

CAS No.:
1545472-15-8
Catalog Number:
AG00HY94
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
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Product Description
Catalog Number:
AG00HY94
Chemical Name:
4-methyl-1H-indole-6-carboxylic acid
CAS Number:
1545472-15-8
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD29921869
IUPAC Name:
4-methyl-1H-indole-6-carboxylic acid
InChI:
InChI=1S/C10H9NO2/c1-6-4-7(10(12)13)5-9-8(6)2-3-11-9/h2-5,11H,1H3,(H,12,13)
InChI Key:
VHWGKZPWIMHYHY-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(C)c2c(c1)[nH]cc2
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:
1.9  
Properties