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50290-20-5 | 3-acetyl-1H-quinolin-2-one
CAS No: 50290-20-5 Catalog No: AG00I90T MDL No:MFCD10004879
Product Description
Catalog Number:
AG00I90T
Chemical Name:
3-acetyl-1H-quinolin-2-one
CAS Number:
50290-20-5
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD10004879
IUPAC Name:
3-acetyl-1H-quinolin-2-one
InChI:
InChI=1S/C11H9NO2/c1-7(13)9-6-8-4-2-3-5-10(8)12-11(9)14/h2-6H,1H3,(H,12,14)
InChI Key:
YFNDTCZARIEYNK-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc2ccccc2[nH]c1=O
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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