Butanedioic acid, 2,3-dibutyl-
Basic information
- CAS
33053-07-5- Standard SMILES
CCCCC(C(=O)O)C(CCCC)C(=O)O- InChIKey
BQNDPALRJDCXOY-UHFFFAOYSA-N- Molecular formula
- C12H22O4
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.15180918
Names & identifiers
- Preferred name
- Butanedioic acid, 2,3-dibutyl-
- IUPAC
- 2,3-dibutylbutanedioic acid
- English name
- 2,3-Dibutylsuccinic acid
- Molecular formula
- C12H22O4
- Molecular weight
- 230.3
Names & synonyms
Butanedioic acid, 2,3-dibutyl-33053-07-5DTXSID70885548RefChem:570823DTXCID9010249152,3-dibutylbutanedioic acid2,3-dibutylsuccinic acid2,3-dibutyl-butanedioic acidSCHEMBL152526BQNDPALRJDCXOY-UHFFFAOYSA-N
Database identifiers
- CAS
33053-07-5- PubChem CID
- 14902203
- DTXSID
DTXSID70885548- Nikkaji
- J2.470.117D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- EPA Substance Registry System
- 2 · Butanedioic acid, 2,3-dibutyl- (33053-07-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanedioic acid, 2,3-dibutyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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