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114561-28-3 | 3-(HYDROXYMETHYL)-6-METHOXY-1-METHYLQUINOLIN-2(1H)-ONE
CAS No: 114561-28-3 Catalog No: AG01C6FY MDL No:MFCD06738251
Product Description
Catalog Number:
AG01C6FY
Chemical Name:
3-(HYDROXYMETHYL)-6-METHOXY-1-METHYLQUINOLIN-2(1H)-ONE
CAS Number:
114561-28-3
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD06738251
IUPAC Name:
3-(hydroxymethyl)-6-methoxy-1-methylquinolin-2-one
InChI:
InChI=1S/C12H13NO3/c1-13-11-4-3-10(16-2)6-8(11)5-9(7-14)12(13)15/h3-6,14H,7H2,1-2H3
InChI Key:
WTKAOIYWXLMZGW-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc(c(=O)n2C)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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