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146074-43-3 | 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, methyl ester, hydrochloride, (3R)- (9CI)
CAS No: 146074-43-3 Catalog No: AG001DNT MDL No:MFCD07778614
Product Description
Catalog Number:
AG001DNT
Chemical Name:
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, methyl ester, hydrochloride, (3R)- (9CI)
CAS Number:
146074-43-3
Molecular Formula:
C11H14ClNO2
Molecular Weight:
227.6874
MDL Number:
MFCD07778614
IUPAC Name:
methyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydrochloride
InChI:
InChI=1S/C11H13NO2.ClH/c1-14-11(13)10-6-8-4-2-3-5-9(8)7-12-10;/h2-5,10,12H,6-7H2,1H3;1H/t10-;/m1./s1
InChI Key:
BUXCBOUGBHWQBE-HNCPQSOCSA-N
SMILES:
COC(=O)[C@@H]1NCc2c(C1)cccc2.Cl
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
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