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97743-56-1 | Quinoline, 1-acetyl-1,2-dihydro-6-methoxy-2,2,4-trimethyl-
CAS No: 97743-56-1 Catalog No: AG005YDO MDL No:
Product Description
Catalog Number:
AG005YDO
Chemical Name:
Quinoline, 1-acetyl-1,2-dihydro-6-methoxy-2,2,4-trimethyl-
CAS Number:
97743-56-1
Molecular Formula:
C15H19NO2
Molecular Weight:
245.3169
IUPAC Name:
1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)ethanone
InChI:
InChI=1S/C15H19NO2/c1-10-9-15(3,4)16(11(2)17)14-7-6-12(18-5)8-13(10)14/h6-9H,1-5H3
InChI Key:
OOTICFCGEDWGQQ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(=CC(N2C(=O)C)(C)C)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.322g/mol
Monoisotopic Mass:
245.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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