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1227267-27-7 | 1H-Indole-3-carboxylic acid, 2,6-dimethyl-
CAS No: 1227267-27-7 Catalog No: AG000J2W MDL No:MFCD16875909
Product Description
Catalog Number:
AG000J2W
Chemical Name:
1H-Indole-3-carboxylic acid, 2,6-dimethyl-
CAS Number:
1227267-27-7
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD16875909
IUPAC Name:
2,6-dimethyl-1H-indole-3-carboxylic acid
InChI:
InChI=1S/C11H11NO2/c1-6-3-4-8-9(5-6)12-7(2)10(8)11(13)14/h3-5,12H,1-2H3,(H,13,14)
InChI Key:
RINOZWROKFEBLM-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)[nH]c(c2C(=O)O)C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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