Basic information
- CAS
4887-51-8- Standard SMILES
O=C(O)CCCCCN1C(=O)C2CC=CCC2C1=O- InChIKey
IACNEMHLZLHRPW-UHFFFAOYSA-N- Molecular formula
- C14H19NO4
- Average molar mass
- 265.3 g/mol
- Monoisotopic mass
- 265.13140809
Names & identifiers
- Preferred name
- 1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-2H-isoindole-2-hexanoic acid
- IUPAC
- 6-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)hexanoic acid
- English name
- 1,3,3a,4,7,7a-hexahydro-1,3-dioxo-2H-isoindole-2-hexanoic acid
- Molecular formula
- C14H19NO4
- Molecular weight
- 265.30496
Names & synonyms
4887-51-81,3,3a,4,7,7a-Hexahydro-1,3-dioxo-2H-isoindole-2-hexanoic acidEINECS 225-501-3NSC 192701RefChem:72223225-501-36-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)hexanoic acid6-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)hexanoic acidIACNEMHLZLHRPW-UHFFFAOYSA-NNSC192701SCHEMBL9180495DTXSID70964125
Show more names
2H-Isoindole-2-hexanoic acid, 1,3,3a,4,7,7a-hexahydro-1,3-dioxo-
STK246498AKOS000141292AKOS017269684CCG-104840NSC-192701EU-0069098NS00045232ST50853533
Database identifiers
- CAS
4887-51-8- PubChem CID
- 99727
- DTXSID
DTXSID70964125- EC Number
- 225-501-3
- Nikkaji
- J262.511C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 390
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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