Methyl beta,3-dihydroxybenzenepropanoate
Basic information
- CAS
55822-86-1- Standard SMILES
COC(=O)CC(O)c1cccc(O)c1- InChIKey
RJGKHTZHLGBJHK-UHFFFAOYSA-N- Molecular formula
- C10H12O4
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.07355886
Names & identifiers
- Preferred name
- Methyl beta,3-dihydroxybenzenepropanoate
- IUPAC
- methyl 3-hydroxy-3-(3-hydroxyphenyl)propanoate
- English name
- Methyl 3-Hydroxy-3-(3-hydroxyphenyl)propanoate
- Molecular formula
- C10H12O4
- Molecular weight
- 196.2
Names & synonyms
55822-86-1RefChem:356566Methyl beta,3-dihydroxybenzenepropanoateMethyl 3-hydroxy-3-(3-hydroxyphenyl)propanoatebeta,3-Dihydroxybenzenepropanoic acid methyl esterMFCD22381397Benzenepropanoic acid, .beta.,3-dihydroxy-, methyl esterMethyl3-Hydroxy-3-(3-hydroxyphenyl)propanoateRJGKHTZHLGBJHK-UHFFFAOYSA-NDTXSID501287373AKOS025243421SB84153
Show more names
β,3-Dihydroxybenzenepropanoic Acid Methyl Ester
AS-32625DA-32684Methyl I(2),3-dihydroxybenzenepropanoateSY028025Methyl-.beta.-(meta-hydroxyphenyl)hydracrylateEN300-1843070F387604Methyl 3-hydroxy-3-(3-hydroxyphenyl)propanoate #
Database identifiers
- CAS
55822-86-1- PubChem CID
- 579495
- DTXSID
DTXSID501287373- Nikkaji
- J530.828C
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- solubility
- Methanol
- form
- Oil
- color
- Dark Brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Usesβ,3-Dihydroxybenzenepropanoic Acid Methyl Ester is an intermediate in the synthesis of β-(m-Hydroxyphenyl)hydracrylic Acid is a urinary metabolite of phenylalanine from the Clostridium gram-positive bacteria cell line.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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