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828241-30-1 | 6,7-DIHYDRO-6-METHYL-1,3-DIOXOLO[4,5-G]ISOQUINOLIN-8(5H)-ONE
CAS No: 828241-30-1 Catalog No: AG008IFV MDL No:
Product Description
Catalog Number:
AG008IFV
Chemical Name:
6,7-DIHYDRO-6-METHYL-1,3-DIOXOLO[4,5-G]ISOQUINOLIN-8(5H)-ONE
CAS Number:
828241-30-1
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
IUPAC Name:
6-methyl-5,7-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-8-one
InChI:
InChI=1S/C11H11NO3/c1-12-4-7-2-10-11(15-6-14-10)3-8(7)9(13)5-12/h2-3H,4-6H2,1H3
InChI Key:
BMTHXONYGNXKBC-UHFFFAOYSA-N
SMILES:
CN1CC(=O)c2c(C1)cc1c(c2)OCO1
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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