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1235648-05-1 | 1-acetyl-6-methoxy-1,2,3,4-tetrahydroquinolin-4-one
CAS No: 1235648-05-1 Catalog No: AG01BVWT MDL No:MFCD30476533
Product Description
Catalog Number:
AG01BVWT
Chemical Name:
1-acetyl-6-methoxy-1,2,3,4-tetrahydroquinolin-4-one
CAS Number:
1235648-05-1
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD30476533
IUPAC Name:
1-acetyl-6-methoxy-2,3-dihydroquinolin-4-one
InChI:
InChI=1S/C12H13NO3/c1-8(14)13-6-5-12(15)10-7-9(16-2)3-4-11(10)13/h3-4,7H,5-6H2,1-2H3
InChI Key:
YRUGHWIKVJNDDC-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(=O)CCN2C(=O)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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