Basic information
- CAS
729-89-5- Standard SMILES
O=C(O)C(Oc1ccccc1)Oc1ccccc1- InChIKey
BWRPEDIXOHZKFD-UHFFFAOYSA-N- Molecular formula
- C14H12O4
- Average molar mass
- 244.24 g/mol
- Monoisotopic mass
- 244.07355886
Names & identifiers
- Preferred name
- Diphenoxyacetic acid
- IUPAC
- 2,2-diphenoxyacetic acid
- English name
- MEDIFOXAMINE ACID METABOLITE
- Molecular formula
- C14H12O4
- Molecular weight
- 244.24
Names & synonyms
2,2-diphenoxyacetic acidACETIC ACID, DIPHENOXY-Diphenoxyacetic acidNSC 406EINECS 211-981-1Glyoxylic acid, 2-(diphenyl acetal)NSC 522021BRN 1976205QV1X7J421GNSC-406NSC-522021UNII-QV1X7J421G
Show more names
1,1-bisacetic aciddiphenoxyaceticaciddiphenoxy-aceticaci2,2-bis(phenoxy)acetic acidMEDIFOXAMINE ACID METABOLITE2,2-bis(phenoxy)ethanoic acid
DTXSID502232024-06-00-00659 (Beilstein Handbook Reference)ACETIC ACID, 2,2-DIPHENOXY-GLYOXYLIC ACID, DIPHENYL ACETALRefChem:134641DTXCID10145693Glyoxylic acid, 2-(diphenyl acetal) (8CI)211-981-1
Database identifiers
- CAS
729-89-5- PubChem CID
- 12893
- DTXSID
DTXSID50223202- UNII
- QV1X7J421G
- EC Number
- 211-981-1
- Nikkaji
- J54.210E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- FDA UNII
- 1 X7J421G · QV1X7J421G
- HS Code
- 2922500090 · 2922500090
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
- hs_code
- 2922500090
Chemistry & industry
Suppliers4 total
上海仲因实业有限公司2537653158 16621191650 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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