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20335-68-6 | 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-methyl-, hydrochloride (1:1)
CAS No: 20335-68-6 Catalog No: AG0028UV MDL No:MFCD06796125
Product Description
Catalog Number:
AG0028UV
Chemical Name:
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-methyl-, hydrochloride (1:1)
CAS Number:
20335-68-6
Molecular Formula:
C11H14ClNO2
Molecular Weight:
227.6874
MDL Number:
MFCD06796125
IUPAC Name:
2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C11H13NO2.ClH/c1-12-7-9-5-3-2-4-8(9)6-10(12)11(13)14;/h2-5,10H,6-7H2,1H3,(H,13,14);1H
InChI Key:
YROXJSKGJQOTKP-UHFFFAOYSA-N
SMILES:
CN1Cc2ccccc2CC1C(=O)O.Cl
Properties
Complexity:
229
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:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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