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1012-01-7 | 3-Pyrrolidinone, 1-(phenylmethyl)-, hydrochloride (1:1)
CAS No: 1012-01-7 Catalog No: AG0003Y0 MDL No:MFCD00757024
Product Description
Catalog Number:
AG0003Y0
Chemical Name:
3-Pyrrolidinone, 1-(phenylmethyl)-, hydrochloride (1:1)
CAS Number:
1012-01-7
Molecular Formula:
C11H14ClNO
Molecular Weight:
211.6880
MDL Number:
MFCD00757024
IUPAC Name:
1-benzylpyrrolidin-3-one;hydrochloride
InChI:
InChI=1S/C11H13NO.ClH/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10;/h1-5H,6-9H2;1H
InChI Key:
CFDRSPCAFPXVGO-UHFFFAOYSA-N
SMILES:
O=C1CCN(C1)Cc1ccccc1.Cl
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.076g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.689g/mol
Monoisotopic Mass:
211.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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