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1412256-13-3 | 8-Quinolineacetic acid, 2-methyl-, methyl ester
CAS No: 1412256-13-3 Catalog No: AG001G36 MDL No:
Product Description
Catalog Number:
AG001G36
Chemical Name:
8-Quinolineacetic acid, 2-methyl-, methyl ester
CAS Number:
1412256-13-3
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
IUPAC Name:
methyl 2-(2-methylquinolin-8-yl)acetate
InChI:
InChI=1S/C13H13NO2/c1-9-6-7-10-4-3-5-11(13(10)14-9)8-12(15)16-2/h3-7H,8H2,1-2H3
InChI Key:
MVYIDFCWKYEFLL-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cccc2c1nc(C)cc2
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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