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118060-75-6 | 3H-Pyrrol-3-one, 1,2-dihydro-1,2-diphenyl-
CAS No: 118060-75-6 Catalog No: AG000ICW MDL No:
Product Description
Catalog Number:
AG000ICW
Chemical Name:
3H-Pyrrol-3-one, 1,2-dihydro-1,2-diphenyl-
CAS Number:
118060-75-6
Molecular Formula:
C16H13NO
Molecular Weight:
235.2805
IUPAC Name:
1,2-diphenyl-2H-pyrrol-3-one
InChI:
InChI=1S/C16H13NO/c18-15-11-12-17(14-9-5-2-6-10-14)16(15)13-7-3-1-4-8-13/h1-12,16H
InChI Key:
XVQHBLBRDGZLNE-UHFFFAOYSA-N
SMILES:
O=C1C=CN(C1c1ccccc1)c1ccccc1
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.286g/mol
Monoisotopic Mass:
235.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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