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1214645-14-3 | 1,2(1H)-Isoquinolinedicarboxylic acid, 6,7-diethoxy-3,4-dihydro-, 2-(1,1-dimethylethyl) ester
CAS No: 1214645-14-3 Catalog No: AG0014ZS MDL No:
Product Description
Catalog Number:
AG0014ZS
Chemical Name:
1,2(1H)-Isoquinolinedicarboxylic acid, 6,7-diethoxy-3,4-dihydro-, 2-(1,1-dimethylethyl) ester
CAS Number:
1214645-14-3
Molecular Formula:
C19H26NO6-
Molecular Weight:
364.4128
IUPAC Name:
6,7-diethoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
InChI:
InChI=1S/C19H27NO6/c1-6-24-14-10-12-8-9-20(18(23)26-19(3,4)5)16(17(21)22)13(12)11-15(14)25-7-2/h10-11,16H,6-9H2,1-5H3,(H,21,22)
InChI Key:
SAPMPDOZKGZFPT-UHFFFAOYSA-N
SMILES:
CCOc1cc2c(cc1OCC)CCN(C2C(=O)[O-])C(=O)OC(C)(C)C
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.184g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.426g/mol
Monoisotopic Mass:
365.184g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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