Basic information
- CAS
53464-95-2- Standard SMILES
CC(C)(c1ccc(Oc2cccc(C(=O)O)c2C(=O)O)cc1)c1ccc(Oc2cccc(C(=O)O)c2C(=O)O)cc1- InChIKey
XZWYIEAOALEANP-UHFFFAOYSA-N- Molecular formula
- C31H24O10
- Average molar mass
- 556.5 g/mol
- Monoisotopic mass
- 556.13694696
Names & identifiers
- Preferred name
- 1,2-Benzenedicarboxylic acid, 3,3'-((1-methylethylidene)bis(4,1-phenyleneoxy))bis-
- IUPAC
- 3-[4-[2-[4-(2,3-dicarboxyphenoxy)phenyl]propan-2-yl]phenoxy]phthalic acid
- English name
- 3,3'-[(1-Methylethylidene)bis(4,1-phenyleneoxy)]bis[1,2-benzenedicarboxylic acid]
- Molecular formula
- C31H24O10
- Molecular weight
- 556.52
Names & synonyms
2,2-Bis(4-(2,3-dicarboxyphenoxy)phenyl)propane3,3'-(Isopropylidenebis(4,1-phenyleneoxy))bisphthalateDTXSID908860571,2-Benzenedicarboxylic acid, 3,3'-((1-methylethylidene)bis(4,1-phenyleneoxy))bis-1,2-Benzenedicarboxylic acid, 3,3'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-3,3'-[Isopropylidenebis(4,1-phenyleneoxy)]bisphthalateRefChem:411138DTXCID80102540353464-95-2SCHEMBL301772SCHEMBL29404902XZWYIEAOALEANP-UHFFFAOYSA-N
Show more names
DB-3040013,3'-[(1-Methylethylidene)bis(4,1-phenyleneoxy)]bis[1,2-benzenedicarboxylic acid]3,3'-[Propane-2,2-diylbis(4,1-phenyleneoxy)]di(benzene-1,2-dicarboxylic acid)
Database identifiers
- CAS
53464-95-2- PubChem CID
- 104508
- DTXSID
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 873
Physicochemical properties
- EPA Substance Registry System
- 3 · 3,3'-[Isopropylidenebis(4,1-phenyleneoxy)]bisphthalate (53464-95-2)
- 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 Information1,2-Benzenedicarboxylic acid, 3,3'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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