Home Carboxys 3-isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-6-hydroxy-, ethyl ester, hydrochloride (1:1)

3-isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-6-hydroxy-, ethyl ester, hydrochloride (1:1)

CAS No.:
128073-39-2
Catalog Number:
AG000XR0
Molecular Formula:
C12H16ClNO3
Molecular Weight:
257.7133
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Product Description
Catalog Number:
AG000XR0
Chemical Name:
3-isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-6-hydroxy-, ethyl ester, hydrochloride (1:1)
CAS Number:
128073-39-2
Molecular Formula:
C12H16ClNO3
Molecular Weight:
257.7133
MDL Number:
MFCD12025935
IUPAC Name:
ethyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydrochloride
InChI:
InChI=1S/C12H15NO3.ClH/c1-2-16-12(15)11-6-9-5-10(14)4-3-8(9)7-13-11;/h3-5,11,13-14H,2,6-7H2,1H3;1H
InChI Key:
CLCLUOFAUVWDIB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1Cc2cc(O)ccc2CN1.Cl
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.082g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
257.714g/mol
Monoisotopic Mass:
257.082g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties