Basic information
- CAS
17123-74-9- Standard SMILES
CC(=O)OC(=O)CCc1ccccc1O- InChIKey
HWHJTMNRGPJBSF-UHFFFAOYSA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.07355886
Names & identifiers
- Preferred name
- Acetic 3-(2-hydroxyphenyl)propanoic anhydride
- IUPAC
- acetyl 3-(2-hydroxyphenyl)propanoate
- English name
- 3-(2-Acetoxyphenyl)propionic acid
- Molecular formula
- C11H12O4
- Molecular weight
- 208.21
Names & synonyms
DTXSID30937936Acetic 3-(2-hydroxyphenyl)propanoic anhydrideRefChem:1075489DTXCID90136648617123-74-9Acetylmelilotic acido-Hydroxyhydrocinnamic acid acetateBenzenepropanoic acid, 2-(acetyloxy)-Acide acetyl-melilotique [French]2-(Acetyloxy)benzenepropanoic acidBRN 2649964Acide acetyl-melilotique
Show more names
acetylmeliloticacidacideacetyl-melilotique3-(2-Acetoxyphenyl)propionic acid2-(acetyloxy)benzenepropanoicacid2-(acetyloxy)-benzenepropanoicacio-hydroxy-hydrocinnamicaciacetate3-(2-Acetoxyphenyl)propanoic acid3-(2-acetyloxyphenyl)propanoic acidBETA-(2-ACETOXYPHENYL)PROPIONIC ACID
HYDROCINNAMIC ACID, o-HYDROXY-, ACETATEAcide acetyl-o-hydroxyphenyl-3-propionique [French]AKOS015916604Acide acetyl-o-hydroxyphenyl-3-propionique
Database identifiers
- CAS
17123-74-9
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 141 · 141-142 °C
- Boiling point
- 360.2 · 360.2±25.0 °C(Predicted)
- Density
- 1.217 · 1.217±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.62 · 4.62±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
Chemistry & industry
Suppliers8 total
Compound Net Biotechnology Inc.15266686121 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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