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1513089-61-6 | 2-methoxy-1-(quinolin-5-yl)ethanone
CAS No: 1513089-61-6 Catalog No: AG01BRS7 MDL No:MFCD24071059
Product Description
Catalog Number:
AG01BRS7
Chemical Name:
2-methoxy-1-(quinolin-5-yl)ethanone
CAS Number:
1513089-61-6
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD24071059
IUPAC Name:
2-methoxy-1-quinolin-5-ylethanone
InChI:
InChI=1S/C12H11NO2/c1-15-8-12(14)10-4-2-6-11-9(10)5-3-7-13-11/h2-7H,8H2,1H3
InChI Key:
SMKPJHNVOWKROU-UHFFFAOYSA-N
SMILES:
COCC(=O)c1cccc2c1cccn2
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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