Basic information
- CAS
54002-45-8- Standard SMILES
COC(=O)c1cc(Oc2ccccc2)cc(C(=O)OC)c1- InChIKey
LNZWXDYPDSSGMP-UHFFFAOYSA-N- Molecular formula
- C16H14O5
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.08412354
Names & identifiers
- Preferred name
- 1,3-Benzenedicarboxylic acid, 5-phenoxy-, 1,3-dimethyl ester
- IUPAC
- dimethyl 5-phenoxybenzene-1,3-dicarboxylate
- English name
- 5-Phenoxy-1,3-benzenedicarboxylic acid dimethyl ester
- Molecular formula
- C16H14O5
- Molecular weight
- 286.28
Names & synonyms
1,3-Benzenedicarboxylic acid, 5-phenoxy-, 1,3-dimethyl esterRefChem:41296054002-45-81,3-Benzenedicarboxylic acid, 5-phenoxy-, dimethyl esterdimethyl 5-phenoxybenzene-1,3-dicarboxylate1,3-Dimethyl 5-phenoxy-1,3-benzenedicarboxylatedimethyl 5-phenoxyisophthalate5-Phenoxy-1,3-benzenedicarboxylic acid dimethyl ester1,3-DIMETHYL 5-PHENOXYBENZENE-1,3-DICARBOXYLATEDTXSID2068898SCHEMBL16247158DB-359116
Database identifiers
- CAS
54002-45-8- PubChem CID
- 104668
- DTXSID
DTXSID2068898- Nikkaji
- J429.232D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3-Benzenedicarboxylic acid, 5-phenoxy-, dimethyl ester (54002-45-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Benzenedicarboxylic acid, 5-phenoxy-, 1,3-dimethyl ester: INACTIVE
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
1 records
Compound notes
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