Home Carboxys 4,6,7-trimethyl-1H-indole-2-carboxylic acid

4,6,7-trimethyl-1H-indole-2-carboxylic acid

CAS No.:
383133-18-4
Catalog Number:
AG00I7L4
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
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Product Description
Catalog Number:
AG00I7L4
Chemical Name:
4,6,7-trimethyl-1H-indole-2-carboxylic acid
CAS Number:
383133-18-4
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD02664504
IUPAC Name:
4,6,7-trimethyl-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C12H13NO2/c1-6-4-7(2)9-5-10(12(14)15)13-11(9)8(6)3/h4-5,13H,1-3H3,(H,14,15)
InChI Key:
CDZKEBOPHBEZGX-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]c2c(c1)c(C)cc(c2C)C
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties