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831181-74-9 | 2H-Pyrrol-2-one,1,5-dihydro-3-methyl-5-[2-(4-methylphenyl)-2-oxoethylidene]-, (5Z)-
CAS No: 831181-74-9 Catalog No: AG004WDG MDL No:
Product Description
Catalog Number:
AG004WDG
Chemical Name:
2H-Pyrrol-2-one,1,5-dihydro-3-methyl-5-[2-(4-methylphenyl)-2-oxoethylidene]-, (5Z)-
CAS Number:
831181-74-9
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
IUPAC Name:
3-methyl-5-[2-(4-methylphenyl)-2-oxoethylidene]pyrrol-2-one
InChI:
InChI=1S/C14H13NO2/c1-9-3-5-11(6-4-9)13(16)8-12-7-10(2)14(17)15-12/h3-8H,1-2H3,(H,15,17)
InChI Key:
VVFNHOFFCJALKB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)/C=C/1\NC(=O)C(=C1)C
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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