benzoic acid;(3R)-4-methylpent-1-yn-3-ol
Basic information
- CAS
476685-26-4- Standard SMILES
C#C[C@H](O)C(C)C.O=C(O)c1ccccc1- InChIKey
CAJRSYKIWDLSME-ZCMDIHMWSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Names & identifiers
- Preferred name
- benzoic acid;(3R)-4-methylpent-1-yn-3-ol
- IUPAC
- benzoic acid;(3R)-4-methylpent-1-yn-3-ol
Names & synonyms
476685-26-4DTXSID30786502Benzoic acid--(3R)-4-methylpent-1-yn-3-ol (1/1)
Database identifiers
- CAS
476685-26-4- PubChem CID
- 71362902
- DTXSID
DTXSID30786502
Properties
Computed structural properties
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 189
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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