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16732-82-4 | 1H-Indole-2-carboxylic acid, 7-methyl-, methyl ester
CAS No: 16732-82-4 Catalog No: AG001XBO MDL No:MFCD04972090
Product Description
Catalog Number:
AG001XBO
Chemical Name:
1H-Indole-2-carboxylic acid, 7-methyl-, methyl ester
CAS Number:
16732-82-4
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD04972090
IUPAC Name:
methyl 7-methyl-1H-indole-2-carboxylate
InChI:
InChI=1S/C11H11NO2/c1-7-4-3-5-8-6-9(11(13)14-2)12-10(7)8/h3-6,12H,1-2H3
InChI Key:
PMDNIVYCPCHSRL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c([nH]1)c(C)ccc2
Properties
Complexity:
229
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:
1
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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