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Home > Indoles and Oxindole > 95542-12-4
95542-12-4 | 3H-Indol-3-one, 1-acetyl-1,2-dihydro-2-(phenylmethylene)-
CAS No: 95542-12-4 Catalog No: AG006CMW MDL No:
Product Description
Catalog Number:
AG006CMW
Chemical Name:
3H-Indol-3-one, 1-acetyl-1,2-dihydro-2-(phenylmethylene)-
CAS Number:
95542-12-4
Molecular Formula:
C17H13NO2
Molecular Weight:
263.2906
IUPAC Name:
1-acetyl-2-benzylideneindol-3-one
InChI:
InChI=1S/C17H13NO2/c1-12(19)18-15-10-6-5-9-14(15)17(20)16(18)11-13-7-3-2-4-8-13/h2-11H,1H3
InChI Key:
KDNBEGQIXIPNPV-UHFFFAOYSA-N
SMILES:
CC(=O)N1C(=Cc2ccccc2)C(=O)c2c1cccc2
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.296g/mol
Monoisotopic Mass:
263.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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