Basic information
- CAS
2028-11-7- Standard SMILES
CC1=CCC2C(=O)NC(=O)C2C1- InChIKey
XMGHVGSVJSKEOA-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- 5-Methyl-3a,4,7,7a-tetrahydro-1h-isoindole-1,3(2h)-dione
- IUPAC
- 5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
- English name
- 5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
5-methyl-3a,4,7,7a-tetrahydro-1h-isoindole-1,3(2h)-dione5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione2028-11-77530-28-1NSC133371SCHEMBL9502227DTXSID50299866DTXSID001145031MFCD00720068STL573381AKOS003619528NSC-133371
Show more names
1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-5-methyl-
4-methylcyclohex-4-ene-1,2-dicarboximideDS-0090121H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-5-methyl-, (3aR,7aS)-rel-
Database identifiers
- CAS
2028-11-7、7530-28-1- PubChem CID
- 280950
- DTXSID
DTXSID001145031
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 280
Chemistry & industry
Suppliers2 total
中山市睿思生物技术有限公司13715524166 13326948089 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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