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22050-10-8 | 5-PHENYL-2-PYROLLIDINONE
CAS No: 22050-10-8 Catalog No: AG00BG3M MDL No:MFCD01687227
Product Description
Catalog Number:
AG00BG3M
Chemical Name:
5-PHENYL-2-PYROLLIDINONE
CAS Number:
22050-10-8
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD01687227
IUPAC Name:
5-phenylpyrrolidin-2-one
InChI:
InChI=1S/C10H11NO/c12-10-7-6-9(11-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)
InChI Key:
TVESJBDGOZUZRH-UHFFFAOYSA-N
SMILES:
O=C1CCC(N1)c1ccccc1
NSC Number:
28857
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:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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