Basic information
- CAS
64038-51-3- Standard SMILES
Cc1ccc(C)c(O[As](O)O)c1- InChIKey
GKFBNLVKXCHCBI-UHFFFAOYSA-N- Molecular formula
- C8H11AsO3
- Average molar mass
- 230.09 g/mol
- Monoisotopic mass
- 229.99241571
Names & identifiers
- Preferred name
- 2,5-Xylenearsonic acid
- IUPAC
- (2,5-dimethylphenoxy)arsonous acid
- English name
- 2,5-Xylylarsonic acid
- Molecular formula
- C8H11AsO3
- Molecular weight
- 230.09
Names & synonyms
2,5-Xylenearsonic acidBRN 3251643DTXSID8021406764038-51-33-16-00-01063 (Beilstein Handbook Reference)RefChem:247828DTXCID801365582,5-Dimethylphenyl dihydrogen arsorite2,5-Xylylarsonic acid(2,5-dimethyl-phenyl)-arsonic acidArsonic acid, As-(2,5-dimethylphenyl)-
Database identifiers
- CAS
64038-51-3- PubChem CID
- 116257
- DTXSID
DTXSID80214067
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Melting point
- 192 °C · 192 °C
- Boiling point
- 451.005 · 451.005±55.00 °C(Press: 760.00 Torr)(predicted)
- pka
- 3.77 · 3.770±0.13(predicted)
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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