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13970-39-3 | 1,3-Dioxolo[4,5-g]isoquinoline, 5,6,7,8-tetrahydro-6-(1-methylethyl)-, hydrochloride (1:1)
CAS No: 13970-39-3 Catalog No: AG001BJC MDL No:
Product Description
Catalog Number:
AG001BJC
Chemical Name:
1,3-Dioxolo[4,5-g]isoquinoline, 5,6,7,8-tetrahydro-6-(1-methylethyl)-, hydrochloride (1:1)
CAS Number:
13970-39-3
Molecular Formula:
C13H18ClNO2
Molecular Weight:
255.7405
IUPAC Name:
6-propan-2-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
InChI:
InChI=1S/C13H17NO2/c1-9(2)14-4-3-10-5-12-13(16-8-15-12)6-11(10)7-14/h5-6,9H,3-4,7-8H2,1-2H3
InChI Key:
ZROVRFKCUNXEBM-UHFFFAOYSA-N
SMILES:
CC(N1CCc2c(C1)cc1c(c2)OCO1)C.Cl
NSC Number:
131723
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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