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88730-07-8 | 2-Pyrrolidinone, 1-amino-5-phenyl-
CAS No: 88730-07-8 Catalog No: AG00891M MDL No:
Product Description
Catalog Number:
AG00891M
Chemical Name:
2-Pyrrolidinone, 1-amino-5-phenyl-
CAS Number:
88730-07-8
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
IUPAC Name:
1-amino-5-phenylpyrrolidin-2-one
InChI:
InChI=1S/C10H12N2O/c11-12-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2
InChI Key:
WIDYQKJKNHLGBT-UHFFFAOYSA-N
SMILES:
NN1C(=O)CCC1c1ccccc1
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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