Basic information
- CAS
53786-98-4- Standard SMILES
O=C(O)C(F)Cc1ccc(O)cc1- InChIKey
SNAMKQOUUOAKFM-UHFFFAOYSA-N- Molecular formula
- C9H9FO3
- Average molar mass
- 184.16 g/mol
- Monoisotopic mass
- 184.05357231
Names & identifiers
- Preferred name
- 2-Fluoro-3-(4-hydroxyphenyl)propanoic acid
- IUPAC
- 2-fluoro-3-(4-hydroxyphenyl)propanoic acid
- English name
- 2-Fluoro-3-(4-hydroxyphenyl)propanoic acid
- Molecular formula
- C9H9FO3
- Molecular weight
- 184.16
Names & synonyms
2-fluoro-3-(4-hydroxyphenyl)propanoic acid53786-98-42-Fluoro-3-(4-hydroxyphenyl)propanoicacidSCHEMBL5306700DTXSID10332243AKOS006325031DB-009175CS-04534782-fluoro-3-(4-hydroxyphenyl)-propionic acidα-Fluor-β-(4-hydroxyphenyl)-propionsaeure3-(2-Fluoro-4-hydroxy-phenyl)-propionic acid
Database identifiers
- CAS
53786-98-4- PubChem CID
- 447149
- DTXSID
DTXSID10332243
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 358.309 · 358.309±32.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.338 · 1.338±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.631 · 2.631±0.10(predicted)
Chemistry & industry
Suppliers6 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
河南久化生物科技有限公司15738884691 153248764872949584887 237654463 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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