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13338-60-8 | Isoquinoline, 3,4-dihydro-6,7,8-trimethoxy-
CAS No: 13338-60-8 Catalog No: AG0014R6 MDL No:
Product Description
Catalog Number:
AG0014R6
Chemical Name:
Isoquinoline, 3,4-dihydro-6,7,8-trimethoxy-
CAS Number:
13338-60-8
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
IUPAC Name:
6,7,8-trimethoxy-3,4-dihydroisoquinoline
InChI:
InChI=1S/C12H15NO3/c1-14-10-6-8-4-5-13-7-9(8)11(15-2)12(10)16-3/h6-7H,4-5H2,1-3H3
InChI Key:
SVIDDEARBPWMLP-UHFFFAOYSA-N
SMILES:
COc1cc2CCN=Cc2c(c1OC)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:
0
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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