Basic information
- CAS
2902-60-5- Standard SMILES
CCCCC(C(=O)O)(c1ccccc1)c1ccccc1- InChIKey
LNRZCHCAPUVAOP-UHFFFAOYSA-N- Molecular formula
- C18H20O2
- Average molar mass
- 268.3 g/mol
- Monoisotopic mass
- 268.14632988
Names & identifiers
- Preferred name
- 2,2-Diphenylhexanoic acid
- IUPAC
- 2,2-diphenylhexanoic acid
- English name
- Benzeneacetic acid, a-butyl-a-phenyl-
- Molecular formula
- C18H20O2
- Molecular weight
- 268.3502
Names & synonyms
2,2-diphenylhexanoic acid2902-60-5Benzeneacetic acid, alpha-butyl-alpha-phenyl-NSC97458NCIOpen2_006228SCHEMBL27572321DTXSID00294624CAA90260NSC-97458EN300-6481867Z2787465007Benzeneacetic acid, a-butyl-a-phenyl-
Database identifiers
- CAS
2902-60-5- PubChem CID
- 263120
- DTXSID
DTXSID00294624
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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