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20225-83-6 | 1,3-Dioxolo[4,5-g]isoquinoline, 7-methyl-5-(1-methylcyclohexyl)-, hydrochloride (1:1)
CAS No: 20225-83-6 Catalog No: AG00285I MDL No:
Product Description
Catalog Number:
AG00285I
Chemical Name:
1,3-Dioxolo[4,5-g]isoquinoline, 7-methyl-5-(1-methylcyclohexyl)-, hydrochloride (1:1)
CAS Number:
20225-83-6
Molecular Formula:
C18H22ClNO2
Molecular Weight:
319.8258
IUPAC Name:
7-methyl-5-(1-methylcyclohexyl)-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
InChI:
InChI=1S/C18H21NO2.ClH/c1-12-8-13-9-15-16(21-11-20-15)10-14(13)17(19-12)18(2)6-4-3-5-7-18;/h8-10H,3-7,11H2,1-2H3;1H
InChI Key:
VYAWHGYCVIZPCF-UHFFFAOYSA-N
SMILES:
Cc1cc2cc3OCOc3cc2c(n1)C1(C)CCCCC1.Cl
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.134g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.829g/mol
Monoisotopic Mass:
319.134g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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