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1227267-30-2 | 1H-Indole-3-carboxylic acid, 2,6-dimethyl-, phenylmethyl ester
CAS No: 1227267-30-2 Catalog No: AG000J2T MDL No:
Product Description
Catalog Number:
AG000J2T
Chemical Name:
1H-Indole-3-carboxylic acid, 2,6-dimethyl-, phenylmethyl ester
CAS Number:
1227267-30-2
Molecular Formula:
C18H17NO2
Molecular Weight:
279.3331
IUPAC Name:
benzyl 2,6-dimethyl-1H-indole-3-carboxylate
InChI:
InChI=1S/C18H17NO2/c1-12-8-9-15-16(10-12)19-13(2)17(15)18(20)21-11-14-6-4-3-5-7-14/h3-10,19H,11H2,1-2H3
InChI Key:
SDRXDEDNGYPLSJ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)[nH]c(c2C(=O)OCc1ccccc1)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.339g/mol
Monoisotopic Mass:
279.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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