Basic information
- CAS
21770-52-5- Standard SMILES
O=C(O)CC1(c2ccccc2)Oc2ccccc2O1- InChIKey
UDLZAJCBAVDAGR-UHFFFAOYSA-N- Molecular formula
- C15H12O4
- Average molar mass
- 256.25 g/mol
- Monoisotopic mass
- 256.07355886
Names & identifiers
- Preferred name
- 1,3-Benzodioxole-2-acetic acid, 2-phenyl-
- IUPAC
- 2-(2-phenyl-1,3-benzodioxol-2-yl)acetic acid
- English name
- 2-Phenyl-1,3-benzodioxole-2-acetic acid
- Molecular formula
- C15H12O4
- Molecular weight
- 256.25
Names & synonyms
2-Phenyl-1,3-benzodioxole-2-acetic acid21770-52-51,3-BENZODIOXOLE-2-ACETIC ACID, 2-PHENYL-DTXSID20176175RefChem:217906DTXCID7098666SCHEMBL11806640UDLZAJCBAVDAGR-UHFFFAOYSA-N(2-Phenyl-1,3-benzodioxol-2-yl)acetic acid(2-phenyl-1,3-benzodioxol-2-yl)-acetic acid(2-Phenyl-2H-1,3-benzodioxol-2-yl)acetic acid
Database identifiers
- CAS
21770-52-5- PubChem CID
- 30798
- DTXSID
DTXSID20176175- Nikkaji
- J41.244I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Related reactions
3 records
Compound notes
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