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830335-19-8 | 2-Pyrrolidinone, 5-[(phenylmethoxy)methyl]-
CAS No: 830335-19-8 Catalog No: AG004XUV MDL No:
Product Description
Catalog Number:
AG004XUV
Chemical Name:
2-Pyrrolidinone, 5-[(phenylmethoxy)methyl]-
CAS Number:
830335-19-8
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
5-(phenylmethoxymethyl)pyrrolidin-2-one
InChI:
InChI=1S/C12H15NO2/c14-12-7-6-11(13-12)9-15-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14)
InChI Key:
GUSMSAVNIPZIMY-UHFFFAOYSA-N
SMILES:
O=C1CCC(N1)COCc1ccccc1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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