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16097-16-8 | 2(1H)-Pyridinone, 4-(2-phenylethyl)-
CAS No: 16097-16-8 Catalog No: AG001VJX MDL No:
Product Description
Catalog Number:
AG001VJX
Chemical Name:
2(1H)-Pyridinone, 4-(2-phenylethyl)-
CAS Number:
16097-16-8
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
IUPAC Name:
4-(2-phenylethyl)-1H-pyridin-2-one
InChI:
InChI=1S/C13H13NO/c15-13-10-12(8-9-14-13)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,14,15)
InChI Key:
KVEPRQPWUFQAMC-UHFFFAOYSA-N
SMILES:
O=c1[nH]ccc(c1)CCc1ccccc1
NSC Number:
108057
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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