1,3-Benzodioxole-5-acetic acid, 6-benzoyl-, methyl ester
Basic information
- CAS
132813-95-7- Standard SMILES
COC(=O)Cc1cc2c(cc1C(=O)c1ccccc1)OCO2- InChIKey
XLIBPJGGWFXKDT-UHFFFAOYSA-N- Molecular formula
- C17H14O5
- Average molar mass
- 298.29 g/mol
- Monoisotopic mass
- 298.08412354
Names & identifiers
- Preferred name
- 1,3-Benzodioxole-5-acetic acid, 6-benzoyl-, methyl ester
- IUPAC
- methyl 2-(6-benzoyl-1,3-benzodioxol-5-yl)acetate
Names & synonyms
132813-95-71,3-Benzodioxole-5-acetic acid, 6-benzoyl-, methyl esterDTXSID80328133RefChem:217918DTXCID90279243NSC725295SCHEMBL6626291XLIBPJGGWFXKDT-UHFFFAOYSA-NNSC-725295Methyl 2-Benzoyl-4,5-methylenedioxyphenylacetateMethyl (6-benzoyl-2H-1,3-benzodioxol-5-yl)acetatemethyl 2-(6-benzoylbenzo[d][1,3]dioxol-5-yl)acetate
Show more names
(6-Benzoyl-benzo[1,3]dioxol-5-yl)-acetic acid methyl ester
Database identifiers
- CAS
132813-95-7- PubChem CID
- 406958
- DTXSID
DTXSID80328133- Nikkaji
- J1.128.029C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
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Related reactions
3 records
Compound notes
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