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128120-02-5 | 3-Pyrrolidinone, 1-phenyl-
CAS No: 128120-02-5 Catalog No: AG000XST MDL No:MFCD08059994
Product Description
Catalog Number:
AG000XST
Chemical Name:
3-Pyrrolidinone, 1-phenyl-
CAS Number:
128120-02-5
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD08059994
IUPAC Name:
1-phenylpyrrolidin-3-one
InChI:
InChI=1S/C10H11NO/c12-10-6-7-11(8-10)9-4-2-1-3-5-9/h1-5H,6-8H2
InChI Key:
GTZAZJLKSXIJOF-UHFFFAOYSA-N
SMILES:
O=C1CCN(C1)c1ccccc1
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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