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101273-50-1 | 2(1H)-Quinolinone, 3-(phenylmethyl)-
CAS No: 101273-50-1 Catalog No: AG00044J MDL No:
Product Description
Catalog Number:
AG00044J
Chemical Name:
2(1H)-Quinolinone, 3-(phenylmethyl)-
CAS Number:
101273-50-1
Molecular Formula:
C16H13NO
Molecular Weight:
235.2805
IUPAC Name:
3-benzyl-1H-quinolin-2-one
InChI:
InChI=1S/C16H13NO/c18-16-14(10-12-6-2-1-3-7-12)11-13-8-4-5-9-15(13)17-16/h1-9,11H,10H2,(H,17,18)
InChI Key:
WITZNUZCSIOXLE-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2ccccc2cc1Cc1ccccc1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.286g/mol
Monoisotopic Mass:
235.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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