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1251923-10-0 | 6-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-, hydrochloride (1:1)
CAS No: 1251923-10-0 Catalog No: AG000NBY MDL No:MFCD16990630
Product Description
Catalog Number:
AG000NBY
Chemical Name:
6-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-, hydrochloride (1:1)
CAS Number:
1251923-10-0
Molecular Formula:
C10H12ClNO2
Molecular Weight:
213.6608
MDL Number:
MFCD16990630
IUPAC Name:
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
InChI:
InChI=1S/C10H11NO2.ClH/c12-10(13)8-3-4-9-7(6-8)2-1-5-11-9;/h3-4,6,11H,1-2,5H2,(H,12,13);1H
InChI Key:
HMXZDPZGVQDVHM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)CCCN2.Cl
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
213.661g/mol
Monoisotopic Mass:
213.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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