Basic information
- CAS
62593-33-3- Standard SMILES
CCCC(O)C(O)CC- InChIKey
ZNZZFXONMYVVGZ-UHFFFAOYSA-N- Molecular formula
- C7H16O2
- Average molar mass
- 132.2 g/mol
- Monoisotopic mass
- 132.11502975
Names & identifiers
- Preferred name
- Heptane-3,4-diol
- IUPAC
- heptane-3,4-diol
- English name
- heptane-3,4-diol
- Molecular formula
- C7H16O2
- Molecular weight
- 132.2
Names & synonyms
Heptane-3,4-diolEINECS 263-620-2AI3-22509DTXSID50978164NSC 51948RefChem:145663DTXCID301405488263-620-23,4-Heptanediol62593-33-3NSC51948SCHEMBL107904
Show more names
Inchi=1/C7H16o2/C1-3-5-7(9)6(8)4-2/H6-9H,3-5H2,1-2h
SCHEMBL2338904SCHEMBL11514306SCHEMBL26119555ZNZZFXONMYVVGZ-UHFFFAOYSA-NNSC-51948DS-013928NS00056207
Database identifiers
- CAS
62593-33-3- PubChem CID
- 97871
- DTXSID
DTXSID50978164- EC Number
- 263-620-2
- Nikkaji
- J112.142A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 63.9
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- 98 · 98-99℃
- Boiling point
- 212 ℃ · 212℃ (761 Torr)
- refractive index
- 1.43 · 1.4300 (589.3 nm 20℃)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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