2-[(2-Acetyloxyphenyl)methylidene]propanedioic acid
Basic information
- CAS
7475-02-7- Standard SMILES
CC(=O)Oc1ccccc1C=C(C(=O)O)C(=O)O- InChIKey
KKPBBYXBMUJZFQ-UHFFFAOYSA-N- Molecular formula
- C12H10O6
- Average molar mass
- 250.2 g/mol
- Monoisotopic mass
- 250.04773803
Names & identifiers
- Preferred name
- 2-[(2-Acetyloxyphenyl)methylidene]propanedioic acid
- IUPAC
- 2-[(2-acetyloxyphenyl)methylidene]propanedioic acid
Names & synonyms
2-[(2-acetyloxyphenyl)methylidene]propanedioic acid7475-02-7NSC401131DTXSID50322385NSC-401131DB-216793{[2-(Acetyloxy)phenyl]methylidene}propanedioic acid
Database identifiers
- CAS
7475-02-7- PubChem CID
- 344296
- DTXSID
DTXSID50322385
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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