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

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

CAS No.:
1546171-82-7
Catalog Number:
AG00IKOZ
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
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Product Description
Catalog Number:
AG00IKOZ
Chemical Name:
6-methyl-1H-indole-4-carboxylic acid
CAS Number:
1546171-82-7
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD29037436
IUPAC Name:
6-methyl-1H-indole-4-carboxylic acid
InChI:
InChI=1S/C10H9NO2/c1-6-4-8(10(12)13)7-2-3-11-9(7)5-6/h2-5,11H,1H3,(H,12,13)
InChI Key:
VKVZQKDFQSFGGL-UHFFFAOYSA-N
SMILES:
Cc1cc(C(=O)O)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