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118060-78-9 | 3H-Pyrrol-3-one, 1,2-dihydro-1-methyl-2-phenyl-
CAS No: 118060-78-9 Catalog No: AG000ICV MDL No:
Product Description
Catalog Number:
AG000ICV
Chemical Name:
3H-Pyrrol-3-one, 1,2-dihydro-1-methyl-2-phenyl-
CAS Number:
118060-78-9
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
IUPAC Name:
1-methyl-2-phenyl-2H-pyrrol-3-one
InChI:
InChI=1S/C11H11NO/c1-12-8-7-10(13)11(12)9-5-3-2-4-6-9/h2-8,11H,1H3
InChI Key:
DVISZCQDKBWZCZ-UHFFFAOYSA-N
SMILES:
CN1C=CC(=O)C1c1ccccc1
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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