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10133-76-3 | Isoquinoline, 3,4-dihydro-6,7-dimethoxy-1-phenyl-, hydrochloride (1:1)
CAS No: 10133-76-3 Catalog No: AG00049N MDL No:
Product Description
Catalog Number:
AG00049N
Chemical Name:
Isoquinoline, 3,4-dihydro-6,7-dimethoxy-1-phenyl-, hydrochloride (1:1)
CAS Number:
10133-76-3
Molecular Formula:
C17H18ClNO2
Molecular Weight:
303.7833
IUPAC Name:
6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline;hydrochloride
InChI:
InChI=1S/C17H17NO2.ClH/c1-19-15-10-13-8-9-18-17(12-6-4-3-5-7-12)14(13)11-16(15)20-2;/h3-7,10-11H,8-9H2,1-2H3;1H
InChI Key:
PNVYPRGPRXZGAN-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCN=C2c1ccccc1.Cl
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.103g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.786g/mol
Monoisotopic Mass:
303.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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