1,3-Benzodioxan-2-carboxylic acid, 4-methyl-4-phenyl-, (E)-
Basic information
- CAS
86616-93-5- Standard SMILES
C[C@@]1(c2ccccc2)O[C@@H](C(=O)O)Oc2ccccc21- InChIKey
JWKJDAVEKUGNOJ-HOTGVXAUSA-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-, (E)-
- IUPAC
- (2S,4S)-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylic acid
Names & synonyms
1,3-Benzodioxan-2-carboxylic acid, 4-methyl-4-phenyl-, (E)-trans-4-Methyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid86616-93-54H,1,3-Benzodioxin-2-carboxylic acid, 4-methyl-4-phenyl-, trans-Acide (methyl-4 phenyl-4 (4H) benzodioxine (1,3)) carboxylique-2 trans [French]DTXSID10235700Acide (methyl-4 phenyl-4 (4H) benzodioxine (1,3)) carboxylique-2 transRefChem:217815DTXCID00158191(2S,4S)-4-Methyl-4-phenyl-2H,4H-1,3-benzodioxine-2-carboxylic acid
Database identifiers
- CAS
86616-93-5- PubChem CID
- 3070546
- DTXSID
DTXSID10235700
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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