Basic information
- CAS
72018-08-7- Standard SMILES
COc1ccc(OC)c(CC(C(=O)O)C(=O)O)c1- InChIKey
HSUUQNZJIBIZOS-UHFFFAOYSA-N- Molecular formula
- C12H14O6
- Average molar mass
- 254.24 g/mol
- Monoisotopic mass
- 254.07903816
Names & identifiers
- Preferred name
- Propanedioic acid, 2-[(2,5-dimethoxyphenyl)methyl]-
- IUPAC
- 2-[(2,5-dimethoxyphenyl)methyl]propanedioic acid
- English name
- [(2,5-Dimethoxyphenyl)methyl]propanedioic acid
- Molecular formula
- C12H14O6
- Molecular weight
- 254.24
Names & synonyms
((2,5-Dimethoxyphenyl)methyl)propanedioic acidPropanedioic acid, ((2,5-dimethoxyphenyl)methyl)-Propanedioic acid, [(2,5-dimethoxyphenyl)methyl]-Propanedioic acid, 2-((2,5-dimethoxyphenyl)methyl)-[(2,5-Dimethoxyphenyl)methyl]propanedioic acidPropanedioic acid, 2-[(2,5-dimethoxyphenyl)methyl]-RefChem:86894472018-08-7SCHEMBL490906DTXSID7072468HSUUQNZJIBIZOS-UHFFFAOYSA-N
Database identifiers
- CAS
72018-08-7- PubChem CID
- 3085682
- DTXSID
DTXSID7072468- Nikkaji
- J447.014A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- EPA Substance Registry System
- Propanedioic acid, [(2,5-dimethoxyphenyl)methyl]- (72018-08-7)
- 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 InformationPropanedioic acid, 2-[(2,5-dimethoxyphenyl)methyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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