Home Carboxys methyl 8-methoxy-1,2,3,4-tetrahydroisoquinoline-5-carboxylate

methyl 8-methoxy-1,2,3,4-tetrahydroisoquinoline-5-carboxylate

CAS No.:
152722-51-5
Catalog Number:
AG01C02V
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
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Product Description
Catalog Number:
AG01C02V
Chemical Name:
methyl 8-methoxy-1,2,3,4-tetrahydroisoquinoline-5-carboxylate
CAS Number:
152722-51-5
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD28532254
IUPAC Name:
methyl 8-methoxy-1,2,3,4-tetrahydroisoquinoline-5-carboxylate
InChI:
InChI=1S/C12H15NO3/c1-15-11-4-3-9(12(14)16-2)8-5-6-13-7-10(8)11/h3-4,13H,5-7H2,1-2H3
InChI Key:
LAKLPKQNZPKGTE-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c2c1CCNC2)OC
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties