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529-37-3 | 4(1H)-Quinolinone
CAS No: 529-37-3 Catalog No: AG00D970 MDL No:MFCD00956391
Product Description
Catalog Number:
AG00D970
Chemical Name:
4(1H)-Quinolinone
CAS Number:
529-37-3
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
MDL Number:
MFCD00956391
IUPAC Name:
1H-quinolin-4-one
InChI:
InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)
InChI Key:
PMZDQRJGMBOQBF-UHFFFAOYSA-N
SMILES:
O=c1cc[nH]c2c1cccc2
EC Number:
210-268-2
UNII:
M1O131WXFO
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
145.161g/mol
Monoisotopic Mass:
145.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
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