[(4-Methoxyphenyl)methyl] hydrogen (4-hydroxyphenyl)malonate
Basic information
- CAS
78641-40-4- Standard SMILES
COc1ccc(COC(=O)C(C(=O)O)c2ccc(O)cc2)cc1- InChIKey
JHALLYTYXLWETG-UHFFFAOYSA-N- Molecular formula
- C17H16O6
- Average molar mass
- 316.3 g/mol
- Monoisotopic mass
- 316.09468823
Names & identifiers
- Preferred name
- [(4-Methoxyphenyl)methyl] hydrogen (4-hydroxyphenyl)malonate
- IUPAC
- 2-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methoxy]-3-oxopropanoic acid
- English name
- [(4-methoxyphenyl)methyl] hydrogen (4-hydroxyphenyl)malonate
- Molecular formula
- C17H16O6
- Molecular weight
- 316.31
Names & synonyms
78641-40-42-(4-Hydroxyphenyl)-3-((4-methoxybenzyl)oxy)-3-oxopropanoic acid[(4-methoxyphenyl)methyl] hydrogen (4-hydroxyphenyl)malonate2-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methoxy]-3-oxopropanoic acid1-[(4-Methoxyphenyl)methyl] 2-(4-hydroxyphenyl)propanedioate2-(4-Hydroxyphenyl)-3-((4-methoxybenzyl)-oxy)-3-oxopropanoic acid((4-Methoxyphenyl)methyl) hydrogen (4-hydroxyphenyl)malonateEINECS 278-959-1SCHEMBL27890921DTXSID50999935JHALLYTYXLWETG-UHFFFAOYSA-N2-(4-Hydroxyphenyl)-3-((4-methoxybenzyl)oxy)-3-oxopropanoicacid
Show more names
7-Side chain of LatamoxefLatamoxef Sodium Impurity 2[(4-methoxyphenyl)methyl] hydrogen (4-hydroxyphenyl)malonate USP/EP/BP2-(4-Hydroxyphenyl)propanedioic acid 1-[(4-methoxyphenyl)methyl] esterPropanedioic acid,2-(4-hydroxyphenyl)-, 1-[(4-Methoxyphenyl)Methyl] ester2-(4-Hydroxyphenyl)propanedioic acid hydrogen 1-(4-methoxyphenylmethyl) ester
MFCD194407582-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methoxy]-3-oxo-propanoic acidAKOS015891325AS-70953NS00060669D93568F817507
Database identifiers
- CAS
78641-40-4- PubChem CID
- 44147396
- DTXSID
DTXSID50999935- EC Number
- 278-959-1
- Nikkaji
- J319.789A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 394
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 519.6 · 519.6±50.0 °C(Predicted)
- Density
- 1.333 · 1.333±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- pka
- 3.14 · 3.14±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…