Butyl hydrogen cyclohexane-1,2-dicarboxylate
Basic information
- CAS
21583-35-7- Standard SMILES
CCCCOC(=O)C1CCCCC1C(=O)O- InChIKey
VRHUZZLSVQTROS-UHFFFAOYSA-N- Molecular formula
- C12H20O4
- Average molar mass
- 228.28 g/mol
- Monoisotopic mass
- 228.13615911
Names & identifiers
- Preferred name
- Butyl hydrogen cyclohexane-1,2-dicarboxylate
- IUPAC
- 2-butoxycarbonylcyclohexane-1-carboxylic acid
- English name
- butyl hydrogen cyclohexane-1,2-dicarboxylate
- Molecular formula
- C12H20O4
- Molecular weight
- 228.28
Names & synonyms
Butyl hydrogen cyclohexane-1,2-dicarboxylate21583-35-7SCHEMBL12965122-(BUTOXYCARBONYL)CYCLOHEXANE-1-CARBOXYLIC ACIDDTXSID80944190VRHUZZLSVQTROS-UHFFFAOYSA-NEINECS 244-456-0NS000503041,2-Cyclohexanedicarboxylic acid, 1-butyl ester1,2-Cyclohexanedicarboxylic acid hydrogen 1-butyl ester
Database identifiers
- CAS
21583-35-7- PubChem CID
- 89519
- DTXSID
DTXSID80944190- EC Number
- 244-456-0
- Nikkaji
- J226.245B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- HS Code
- 2918990090 · 2918990090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2918990090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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