200,000+ products from a single source!
sales@angenechem.com
128073-39-2 | 3-isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-6-hydroxy-, ethyl ester, hydrochloride (1:1)
CAS No: 128073-39-2 Catalog No: AG000XR0 MDL No:MFCD12025935
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.