Basic information
- CAS
14214-86-9- Standard SMILES
C1CCC2CC2C1- InChIKey
WPHGSKGZRAQSGP-UHFFFAOYSA-N- Molecular formula
- C7H12
- Average molar mass
- 96.17 g/mol
- Monoisotopic mass
- 96.09390038
Names & identifiers
- Preferred name
- Bicyclo(4.1.0)heptane
- IUPAC
- bicyclo[4.1.0]heptane
- English name
- 2,3-Dihydroxybutyraldehyde
- Molecular formula
- C4H8O3
- Molecular weight
- 104.10452
Names & synonyms
Bicyclo[4.1.0]heptane286-08-8BICYCLO(4.1.0)HEPTANEDTXSID10870493RefChem:1079817DTXCID3081821114214-86-9Butanal, 2,3-dihydroxy-2,3-DihydroxybutyraldehydeSCHEMBL8797SCHEMBL38786SCHEMBL205204
Show more names
2,3-Dihydroxybutanal
SCHEMBL318385SCHEMBL318651SCHEMBL1065644WPHGSKGZRAQSGP-UHFFFAOYSA-NNSC143399AKOS015840955DB-067952Q680932
Database identifiers
- CAS
14214-86-9、286-08-8- PubChem CID
- 9245
- DTXSID
DTXSID10870493- Nikkaji
- J10.624K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 66.1
Experimental & physicochemical properties
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesSchoenflies notation
Vapor Pressure22.8 [mmHg]
Physical DescriptionLiquid; [Merck Index]
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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