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1219397-09-7 | 2-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-6-hydroxy-, methyl ester
CAS No: 1219397-09-7 Catalog No: AG0016FO MDL No:
Product Description
Catalog Number:
AG0016FO
Chemical Name:
2-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-6-hydroxy-, methyl ester
CAS Number:
1219397-09-7
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
IUPAC Name:
methyl 6-hydroxy-1,2,3,4-tetrahydroquinoline-2-carboxylate
InChI:
InChI=1S/C11H13NO3/c1-15-11(14)10-4-2-7-6-8(13)3-5-9(7)12-10/h3,5-6,10,12-13H,2,4H2,1H3
InChI Key:
ANSGQKFRAXPYGD-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCc2c(N1)ccc(c2)O
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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