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70452-31-2 | 2H-Indol-2-one, 1,3-dihydro-5-methyl-3-(2-oxo-2-phenylethylidene)-
CAS No: 70452-31-2 Catalog No: AG005IWB MDL No:
Product Description
Catalog Number:
AG005IWB
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-5-methyl-3-(2-oxo-2-phenylethylidene)-
CAS Number:
70452-31-2
Molecular Formula:
C17H13NO2
Molecular Weight:
263.2906
IUPAC Name:
5-methyl-3-phenacylidene-1H-indol-2-one
InChI:
InChI=1S/C17H13NO2/c1-11-7-8-15-13(9-11)14(17(20)18-15)10-16(19)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,20)
InChI Key:
PLAVBMBFVMUSER-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C(=CC(=O)c1ccccc1)C(=O)N2
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:
1
Isotope Atom Count:
0
Molecular Weight:
263.296g/mol
Monoisotopic Mass:
263.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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