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2060045-54-5 | 1-acetyl-6-(propan-2-yloxy)-1,2,3,4-tetrahydroquinolin-4-one
CAS No: 2060045-54-5 Catalog No: AG01BVWV MDL No:MFCD30476535
Product Description
Catalog Number:
AG01BVWV
Chemical Name:
1-acetyl-6-(propan-2-yloxy)-1,2,3,4-tetrahydroquinolin-4-one
CAS Number:
2060045-54-5
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
MDL Number:
MFCD30476535
IUPAC Name:
1-acetyl-6-propan-2-yloxy-2,3-dihydroquinolin-4-one
InChI:
InChI=1S/C14H17NO3/c1-9(2)18-11-4-5-13-12(8-11)14(17)6-7-15(13)10(3)16/h4-5,8-9H,6-7H2,1-3H3
InChI Key:
JRDSREPUPUNSPO-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc2c(c1)C(=O)CCN2C(=O)C)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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