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100487-84-1 | 1H-Indole-1-carboxylic acid, 2,3-dihydro-2-oxo-6-phenyl-, ethyl ester
CAS No: 100487-84-1 Catalog No: AG000244 MDL No:
Product Description
Catalog Number:
AG000244
Chemical Name:
1H-Indole-1-carboxylic acid, 2,3-dihydro-2-oxo-6-phenyl-, ethyl ester
CAS Number:
100487-84-1
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
IUPAC Name:
ethyl 2-oxo-6-phenyl-3H-indole-1-carboxylate
InChI:
InChI=1S/C17H15NO3/c1-2-21-17(20)18-15-10-13(12-6-4-3-5-7-12)8-9-14(15)11-16(18)19/h3-10H,2,11H2,1H3
InChI Key:
YMAWHLWKSJTZPH-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1C(=O)Cc2c1cc(cc2)c1ccccc1
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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