Basic information
- CAS
103324-16-9- Standard SMILES
O=C(O)CCCc1cccc(O)c1- InChIKey
GCWLZXMXFMTIIQ-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- 4-(3-Hydroxyphenyl)butanoic acid
- IUPAC
- 4-(3-hydroxyphenyl)butanoic acid
- English name
- 4-(3-Hydroxyphenyl)butanoic acid
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
4-(3-Hydroxyphenyl)butanoic acid103324-16-9SCHEMBL3717612GCWLZXMXFMTIIQ-UHFFFAOYSA-NDTXSID3010159884-(3-Hydroxyphenyl)butanoic acid #Butyric acid, 4-(m-hydroxyphenyl)-AKOS015890955DB-348613EN300-1843659AQ-387/42302721Benzenebutanoic acid, 3-hydroxy-
Database identifiers
- CAS
103324-16-9- PubChem CID
- 577791
- DTXSID
DTXSID301015988- EC Number
- 192-744-9
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Melting point
- 87 · 87-89 °C(Solv: benzene (71-43-2))
- Boiling point
- 170 · 170-173 °C(Press: 0.001 Torr)
- Density
- 1.214 · 1.214±0.06 g/cm3(Predicted)
- pka
- 4.76 · 4.76±0.10(Predicted)
Chemistry & industry
Suppliers6 total
赛纳斯特化学（欢迎点击联系）021-60343070
常州非凡医药科技有限公司0519-82111935 15195055733 · [email protected]
上海智乾生物科技有限公司[email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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