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75690-06-1 | 6,8(2H,7H)-Isoquinolinedione, hexahydro-2-methyl-
CAS No: 75690-06-1 Catalog No: AG005AI3 MDL No:
Product Description
Catalog Number:
AG005AI3
Chemical Name:
6,8(2H,7H)-Isoquinolinedione, hexahydro-2-methyl-
CAS Number:
75690-06-1
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
IUPAC Name:
2-methyl-1,3,4,4a,5,8a-hexahydroisoquinoline-6,8-dione
InChI:
InChI=1S/C10H15NO2/c1-11-3-2-7-4-8(12)5-10(13)9(7)6-11/h7,9H,2-6H2,1H3
InChI Key:
JIHKVQUFCHKYRB-UHFFFAOYSA-N
SMILES:
CN1CCC2C(C1)C(=O)CC(=O)C2
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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