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Home > Indoles and Oxindole > 89068-34-8
89068-34-8 | 1H-Isoindole-1,3(2H)-dione, hexahydro-3a,7a-dimethyl-
CAS No: 89068-34-8 Catalog No: AG00410H MDL No:
Product Description
Catalog Number:
AG00410H
Chemical Name:
1H-Isoindole-1,3(2H)-dione, hexahydro-3a,7a-dimethyl-
CAS Number:
89068-34-8
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
IUPAC Name:
3a,7a-dimethyl-4,5,6,7-tetrahydroisoindole-1,3-dione
InChI:
InChI=1S/C10H15NO2/c1-9-5-3-4-6-10(9,2)8(13)11-7(9)12/h3-6H2,1-2H3,(H,11,12,13)
InChI Key:
NVSCNSJAMNBQLI-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C2(C1(C)CCCC2)C
Properties
Complexity:
259
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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