Basic information
- CAS
74270-35-2- Standard SMILES
O=C(O)CCc1ccc(OC(=O)P(=O)(O)O)cc1- InChIKey
HKLBKQAYLOPZMV-UHFFFAOYSA-N- Molecular formula
- C10H11O7P
- Average molar mass
- 274.16 g/mol
- Monoisotopic mass
- 274.02423968
Names & identifiers
- Preferred name
- Benzenepropanoic acid, 4-((phosphonocarbonyl)oxy)-
- IUPAC
- 3-(4-phosphonocarbonyloxyphenyl)propanoic acid
Names & synonyms
Benzenepropanoic acid, 4-((phosphonocarbonyl)oxy)-74270-35-2Benzenepropanoic acid, 4-[(phosphonocarbonyl)oxy]-3-(4-phosphonocarbonyloxyphenyl)propanoic acidDTXSID902252803-{4-[(PHOSPHONOCARBONYL)OXY]PHENYL}PROPANOIC ACID
Database identifiers
- CAS
74270-35-2- PubChem CID
- 512092
- DTXSID
DTXSID90225280
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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