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400079-79-0 | 3-acetyl-4-methoxy-1,2-dihydroquinolin-2-one
CAS No: 400079-79-0 Catalog No: AG00IXST MDL No:MFCD01316892
Product Description
Catalog Number:
AG00IXST
Chemical Name:
3-acetyl-4-methoxy-1,2-dihydroquinolin-2-one
CAS Number:
400079-79-0
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
MDL Number:
MFCD01316892
IUPAC Name:
3-acetyl-4-methoxy-1H-quinolin-2-one
InChI:
InChI=1S/C12H11NO3/c1-7(14)10-11(16-2)8-5-3-4-6-9(8)13-12(10)15/h3-6H,1-2H3,(H,13,15)
InChI Key:
QGMICPWQCVLUIG-UHFFFAOYSA-N
SMILES:
COc1c(C(=O)C)c(=O)[nH]c2c1cccc2
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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