1,3-Benzodioxan-2-carboxylic acid, 4-methyl-4-phenyl-, (Z)-
Basic information
- CAS
86616-94-6- Standard SMILES
C[C@]1(c2ccccc2)O[C@@H](C(=O)O)Oc2ccccc21- InChIKey
JWKJDAVEKUGNOJ-JKSUJKDBSA-N- Molecular formula
- C16H14O4
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.08920892
Names & identifiers
- Preferred name
- 1,3-Benzodioxan-2-carboxylic acid, 4-methyl-4-phenyl-, (Z)-
- IUPAC
- (2S,4R)-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylic acid
Names & synonyms
86616-94-61,3-Benzodioxan-2-carboxylic acid, 4-methyl-4-phenyl-, (Z)-RefChem:1052673cis-4-Methyl-4-phenyl-1,3-benzodioxan-2-carboxylic acidAcide (methyl-4 phenyl-4 (4H) benzodioxine (1,3)) carboxylique-2 cis [French]4H-1,3-Benzodioxin-2-carboxylic acid, 4-methyl-4-phenyl-, cis-Acide (methyl-4 phenyl-4 (4H) benzodioxine (1,3)) carboxylique-2 cisDTXSID1010069534-Methyl-4-phenyl-2H,4H-1,3-benzodioxine-2-carboxylic acid(2S,4R)-4-Methyl-4-phenyl-2H,4H-1,3-benzodioxine-2-carboxylic acid
Database identifiers
- CAS
86616-94-6- PubChem CID
- 3070547
- DTXSID
DTXSID101006953
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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