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20232-58-0 | Isoquinoline, 3,4-dihydro-6,7-dimethoxy-1-propyl-
CAS No: 20232-58-0 Catalog No: AG002862 MDL No:
Product Description
Catalog Number:
AG002862
Chemical Name:
Isoquinoline, 3,4-dihydro-6,7-dimethoxy-1-propyl-
CAS Number:
20232-58-0
Molecular Formula:
C14H19NO2
Molecular Weight:
233.3062
IUPAC Name:
6,7-dimethoxy-1-propyl-3,4-dihydroisoquinoline
InChI:
InChI=1S/C14H19NO2/c1-4-5-12-11-9-14(17-3)13(16-2)8-10(11)6-7-15-12/h8-9H,4-7H2,1-3H3
InChI Key:
GQDGSOBEHYQMER-UHFFFAOYSA-N
SMILES:
CCCC1=NCCc2c1cc(OC)c(c2)OC
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.311g/mol
Monoisotopic Mass:
233.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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