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1171535-51-5 | 4-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, methyl ester, hydrochloride (1:1)
CAS No: 1171535-51-5 Catalog No: AG000DT7 MDL No:MFCD09025764
Product Description
Catalog Number:
AG000DT7
Chemical Name:
4-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, methyl ester, hydrochloride (1:1)
CAS Number:
1171535-51-5
Molecular Formula:
C11H14ClNO2
Molecular Weight:
227.6874
MDL Number:
MFCD09025764
IUPAC Name:
methyl 1,2,3,4-tetrahydroisoquinoline-4-carboxylate;hydrochloride
InChI:
InChI=1S/C11H13NO2.ClH/c1-14-11(13)10-7-12-6-8-4-2-3-5-9(8)10;/h2-5,10,12H,6-7H2,1H3;1H
InChI Key:
CKUUSORWZQEPCN-UHFFFAOYSA-N
SMILES:
COC(=O)C1CNCc2c1cccc2.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:
1
Undefined Bond Stereocenter Count:
0
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