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1138-45-0 | 3-(benzyloxy)-1,4-dihydropyridin-4-one
CAS No: 1138-45-0 Catalog No: AG01DUZR MDL No:MFCD22572386
Product Description
Catalog Number:
AG01DUZR
Chemical Name:
3-(benzyloxy)-1,4-dihydropyridin-4-one
CAS Number:
1138-45-0
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD22572386
IUPAC Name:
3-phenylmethoxy-1H-pyridin-4-one
InChI:
InChI=1S/C12H11NO2/c14-11-6-7-13-8-12(11)15-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,13,14)
InChI Key:
NZWMMUSDSPVNRZ-UHFFFAOYSA-N
SMILES:
O=c1cc[nH]cc1OCc1ccccc1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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