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138712-65-9 | 2(1H)-Quinolinone, 3-(hydroxymethyl)-4-phenyl-
CAS No: 138712-65-9 Catalog No: AG007LP5 MDL No:
Product Description
Catalog Number:
AG007LP5
Chemical Name:
2(1H)-Quinolinone, 3-(hydroxymethyl)-4-phenyl-
CAS Number:
138712-65-9
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
3-(hydroxymethyl)-4-phenyl-1H-quinolin-2-one
InChI:
InChI=1S/C16H13NO2/c18-10-13-15(11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-16(13)19/h1-9,18H,10H2,(H,17,19)
InChI Key:
LNJDSNPNCWUGPR-UHFFFAOYSA-N
SMILES:
OCc1c(=O)[nH]c2c(c1c1ccccc1)cccc2
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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