Mono(P-alpha-dimethylbenzyl) phthalate
Basic information
- CAS
23005-56-3- Standard SMILES
Cc1ccc(C(C)OC(=O)c2ccccc2C(=O)O)cc1- InChIKey
JSIGNCSNGUIZKU-UHFFFAOYSA-N- Molecular formula
- C17H16O4
- Average molar mass
- 284.31 g/mol
- Monoisotopic mass
- 284.10485899
Names & identifiers
- Preferred name
- Mono(P-alpha-dimethylbenzyl) phthalate
- IUPAC
- 2-[1-(4-methylphenyl)ethoxycarbonyl]benzoic acid
Names & synonyms
MONO(P-ALPHA-DIMETHYLBENZYL) PHTHALATE23005-56-32-{[1-(4-methylphenyl)ethoxy]carbonyl}benzoic acidDTXSID90945693
Database identifiers
- CAS
23005-56-3- PubChem CID
- 31609
- DTXSID
DTXSID90945693- Nikkaji
- J1.610.397G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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