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81976-70-7 | 2-Pyrrolidinone, 3-(phenylmethyl)-
CAS No: 81976-70-7 Catalog No: AG0055EV MDL No:MFCD11848652
Product Description
Catalog Number:
AG0055EV
Chemical Name:
2-Pyrrolidinone, 3-(phenylmethyl)-
CAS Number:
81976-70-7
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD11848652
IUPAC Name:
3-benzylpyrrolidin-2-one
InChI:
InChI=1S/C11H13NO/c13-11-10(6-7-12-11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)
InChI Key:
KWFHSBMVLYCBQP-UHFFFAOYSA-N
SMILES:
O=C1NCCC1Cc1ccccc1
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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