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1029689-82-4 | 8-METHOXYCARBONYL-1,2,3,4-TETRAHYDROISOQUINOLINE HCL
CAS No: 1029689-82-4 Catalog No: AG008RPA MDL No:MFCD08460905
Product Description
Catalog Number:
AG008RPA
Chemical Name:
8-METHOXYCARBONYL-1,2,3,4-TETRAHYDROISOQUINOLINE HCL
CAS Number:
1029689-82-4
Molecular Formula:
C11H14ClNO2
Molecular Weight:
227.6874
MDL Number:
MFCD08460905
IUPAC Name:
methyl 1,2,3,4-tetrahydroisoquinoline-8-carboxylate;hydrochloride
InChI:
InChI=1S/C11H13NO2.ClH/c1-14-11(13)9-4-2-3-8-5-6-12-7-10(8)9;/h2-4,12H,5-7H2,1H3;1H
InChI Key:
COQHHVHUWVSLQP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1CNCC2.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:
0
Undefined Bond Stereocenter Count:
0
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