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190961-50-3 | 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, hydrobromide (1:1), (3R)-
CAS No: 190961-50-3 Catalog No: AG002EXV MDL No:
Product Description
Catalog Number:
AG002EXV
Chemical Name:
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, hydrobromide (1:1), (3R)-
CAS Number:
190961-50-3
Molecular Formula:
C10H12BrNO2
Molecular Weight:
258.1118
IUPAC Name:
1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrobromide
InChI:
InChI=1S/C10H11NO2.BrH/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;/h1-4,9,11H,5-6H2,(H,12,13);1H
InChI Key:
JCPYSZVJRRFVQW-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H]1NCc2c(C1)cccc2.Br
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.005g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
258.115g/mol
Monoisotopic Mass:
257.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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