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189634-92-2 | 1H-Indole-7-carboxylic acid, 1-(phenylmethyl)-, methyl ester
CAS No: 189634-92-2 Catalog No: AG002DU7 MDL No:
Product Description
Catalog Number:
AG002DU7
Chemical Name:
1H-Indole-7-carboxylic acid, 1-(phenylmethyl)-, methyl ester
CAS Number:
189634-92-2
Molecular Formula:
C17H15NO2
Molecular Weight:
265.3065
IUPAC Name:
methyl 1-benzylindole-7-carboxylate
InChI:
InChI=1S/C17H15NO2/c1-20-17(19)15-9-5-8-14-10-11-18(16(14)15)12-13-6-3-2-4-7-13/h2-11H,12H2,1H3
InChI Key:
FLOQEHSZJQNXTE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1n(cc2)Cc1ccccc1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.312g/mol
Monoisotopic Mass:
265.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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