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13326-57-3 | 1-Isoquinolinecarboxylic acid, 3,4-dihydro-6,7-dimethoxy-, ethyl ester
CAS No: 13326-57-3 Catalog No: AG0014HQ MDL No:
Product Description
Catalog Number:
AG0014HQ
Chemical Name:
1-Isoquinolinecarboxylic acid, 3,4-dihydro-6,7-dimethoxy-, ethyl ester
CAS Number:
13326-57-3
Molecular Formula:
C14H17NO4
Molecular Weight:
263.2891
IUPAC Name:
ethyl 6,7-dimethoxy-3,4-dihydroisoquinoline-1-carboxylate
InChI:
InChI=1S/C14H17NO4/c1-4-19-14(16)13-10-8-12(18-3)11(17-2)7-9(10)5-6-15-13/h7-8H,4-6H2,1-3H3
InChI Key:
OVCWPIJTPDRWMD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=NCCc2c1cc(OC)c(c2)OC
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.293g/mol
Monoisotopic Mass:
263.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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