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10018-19-6 | 1,3-Dioxolo[4,5-g]isoquinolinium, 7,8-dihydro-4-methoxy-6-methyl-, chloride (1:1)
CAS No: 10018-19-6 Catalog No: AG00016F MDL No:
Product Description
Catalog Number:
AG00016F
Chemical Name:
1,3-Dioxolo[4,5-g]isoquinolinium, 7,8-dihydro-4-methoxy-6-methyl-, chloride (1:1)
CAS Number:
10018-19-6
Molecular Formula:
C12H14ClNO3
Molecular Weight:
255.6975
IUPAC Name:
4-methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium;chloride
InChI:
InChI=1S/C12H14NO3.ClH/c1-13-4-3-8-5-10-12(16-7-15-10)11(14-2)9(8)6-13;/h5-6H,3-4,7H2,1-2H3;1H/q+1;/p-1
InChI Key:
BWQAGVANIBSWBW-UHFFFAOYSA-M
SMILES:
COc1c2C=[N+](C)CCc2cc2c1OCO2.[Cl-]
EC Number:
233-012-1
UNII:
03F6B8N3QN
NSC Number:
24824
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.066g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.698g/mol
Monoisotopic Mass:
255.066g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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