Butane-1,4-diol; oxalic acid
Basic information
- CAS
34090-00-1- Standard SMILES
O=C(O)C(=O)O.OCCCCO- InChIKey
FKKXKAVYHSOVIW-UHFFFAOYSA-N- Molecular formula
- C6H12O6
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.0633881
Names & identifiers
- Preferred name
- Butane-1,4-diol; oxalic acid
- IUPAC
- butane-1,4-diol;oxalic acid
Names & synonyms
butane-1,4-diol; oxalic acid34090-00-1SCHEMBL27598882DTXSID40275391Oxalic acid--butane-1,4-diol (1/1)
Database identifiers
- CAS
34090-00-1- PubChem CID
- 36672
- DTXSID
DTXSID40275391
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 89.1
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Compound notes
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