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176641-35-3 | 2-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-6-methoxy-, methyl ester
CAS No: 176641-35-3 Catalog No: AG0024S0 MDL No:
Product Description
Catalog Number:
AG0024S0
Chemical Name:
2-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-6-methoxy-, methyl ester
CAS Number:
176641-35-3
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
IUPAC Name:
methyl 6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylate
InChI:
InChI=1S/C12H15NO3/c1-15-9-4-6-10-8(7-9)3-5-11(13-10)12(14)16-2/h4,6-7,11,13H,3,5H2,1-2H3
InChI Key:
DSKYJEWLFNHBSW-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCc2c(N1)ccc(c2)OC
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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