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924769-60-8 | 3-(Hydroxymethyl)-7-methoxy-1-methylquinolin-2(1H)-one
CAS No: 924769-60-8 Catalog No: AG01C6FH MDL No:MFCD08741810
Product Description
Catalog Number:
AG01C6FH
Chemical Name:
3-(Hydroxymethyl)-7-methoxy-1-methylquinolin-2(1H)-one
CAS Number:
924769-60-8
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD08741810
IUPAC Name:
3-(hydroxymethyl)-7-methoxy-1-methylquinolin-2-one
InChI:
InChI=1S/C12H13NO3/c1-13-11-6-10(16-2)4-3-8(11)5-9(7-14)12(13)15/h3-6,14H,7H2,1-2H3
InChI Key:
LZRLTZQXQNZCQG-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)n(C)c(=O)c(c2)CO
Properties
Complexity:
313
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:
1
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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