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1216800-29-1 | 7-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-, methyl ester, hydrochloride (1:1)
CAS No: 1216800-29-1 Catalog No: AG0015JR MDL No:MFCD09026783
Product Description
Catalog Number:
AG0015JR
Chemical Name:
7-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-, methyl ester, hydrochloride (1:1)
CAS Number:
1216800-29-1
Molecular Formula:
C11H14ClNO2
Molecular Weight:
227.6874
MDL Number:
MFCD09026783
IUPAC Name:
methyl 1,2,3,4-tetrahydroquinoline-7-carboxylate;hydrochloride
InChI:
InChI=1S/C11H13NO2.ClH/c1-14-11(13)9-5-4-8-3-2-6-12-10(8)7-9;/h4-5,7,12H,2-3,6H2,1H3;1H
InChI Key:
WSTRFBFFJPJTSK-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)NCCC2.Cl
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.688g/mol
Monoisotopic Mass:
227.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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