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102236-77-1 | 3-Quinolinecarboxylic acid, 5,6,7,8-tetrahydro-, hydrochloride (1:1)
CAS No: 102236-77-1 Catalog No: AG000702 MDL No:
Product Description
Catalog Number:
AG000702
Chemical Name:
3-Quinolinecarboxylic acid, 5,6,7,8-tetrahydro-, hydrochloride (1:1)
CAS Number:
102236-77-1
Molecular Formula:
C10H12ClNO2
Molecular Weight:
213.6608
IUPAC Name:
5,6,7,8-tetrahydroquinoline-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C10H11NO2.ClH/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8;/h5-6H,1-4H2,(H,12,13);1H
InChI Key:
BECKKTBUWFMJTP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc2c(c1)CCCC2.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:
2
Isotope Atom Count:
0
Molecular Weight:
213.661g/mol
Monoisotopic Mass:
213.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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