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90832-54-5 | 1,3-Dioxolo[4,5-g]isoquinoline, 7,8-dihydro-7-methyl-
CAS No: 90832-54-5 Catalog No: AG006LUM MDL No:
Product Description
Catalog Number:
AG006LUM
Chemical Name:
1,3-Dioxolo[4,5-g]isoquinoline, 7,8-dihydro-7-methyl-
CAS Number:
90832-54-5
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
7-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
InChI:
InChI=1S/C11H11NO2/c1-7-2-8-3-10-11(14-6-13-10)4-9(8)5-12-7/h3-5,7H,2,6H2,1H3
InChI Key:
GJYMGPVIFSJHGS-UHFFFAOYSA-N
SMILES:
CC1N=Cc2c(C1)cc1c(c2)OCO1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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