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Home > Quinoline > 857272-53-8
857272-53-8 | 7-(Hydroxymethyl)-3,4-dihydroquinolin-2(1H)-one
CAS No: 857272-53-8 Catalog No: AG004YLJ MDL No:MFCD13179402
Product Description
Catalog Number:
AG004YLJ
Chemical Name:
7-(Hydroxymethyl)-3,4-dihydroquinolin-2(1H)-one
CAS Number:
857272-53-8
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD13179402
IUPAC Name:
7-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one
InChI:
InChI=1S/C10H11NO2/c12-6-7-1-2-8-3-4-10(13)11-9(8)5-7/h1-2,5,12H,3-4,6H2,(H,11,13)
InChI Key:
QJVHACDKAXCDGJ-UHFFFAOYSA-N
SMILES:
OCc1ccc2c(c1)NC(=O)CC2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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