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20276-53-3 | 1,3-Dioxolo[4,5-g]isoquinolinium, 7,8-dihydro-4-methoxy-6-methyl-, cyanide (8CI)
CAS No: 20276-53-3 Catalog No: AG0028EC MDL No:
Product Description
Catalog Number:
AG0028EC
Chemical Name:
1,3-Dioxolo[4,5-g]isoquinolinium, 7,8-dihydro-4-methoxy-6-methyl-, cyanide (8CI)
CAS Number:
20276-53-3
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
IUPAC Name:
4-methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium;cyanide
InChI:
InChI=1S/C12H14NO3.CN/c1-13-4-3-8-5-10-12(16-7-15-10)11(14-2)9(8)6-13;1-2/h5-6H,3-4,7H2,1-2H3;/q+1;-1
InChI Key:
FXXWEPSFMCMWSO-UHFFFAOYSA-N
SMILES:
COc1c2C=[N+](C)CCc2cc2c1OCO2.[C-]#N
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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