Basic information
- CAS
103203-88-9- Standard SMILES
Cc1cc(O)ccc1C=CC(=O)O- InChIKey
ALVCCGIUMNTRJV-UHFFFAOYSA-N- Molecular formula
- C10H10O3
- Average molar mass
- 178.18 g/mol
- Monoisotopic mass
- 178.06299418
Names & identifiers
- Preferred name
- 3-(4-Hydroxy-2-methylphenyl)prop-2-enoic acid
- IUPAC
- 3-(4-hydroxy-2-methylphenyl)prop-2-enoic acid
- English name
- 2-Propenoic acid, 3-(4-hydroxy-2-methylphenyl)-
- Molecular formula
- C10H10O3
- Molecular weight
- 178.18
Names & synonyms
3-(4-Hydroxy-2-methylphenyl)prop-2-enoic acid103203-88-9DTXSID70695366RefChem:274641DTXCID10646115(2E)-3-(4-HYDROXY-2-METHYLPHENYL)PROP-2-ENOIC ACIDSCHEMBL547439FH670903-(4-hydroxy-2-methyl-phenyl)prop-2-enoic acid3-(4-Hydroxy-2-methylphenyl)-2-propenoic acid2-Propenoic acid, 3-(4-hydroxy-2-methylphenyl)-
Database identifiers
- CAS
103203-88-9- PubChem CID
- 53404335
- DTXSID
DTXSID70695366
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Boiling point
- 351.5 · 351.5±27.0 °C(Predicted)
- Density
- 1.275 · 1.275±0.06 g/cm3(Predicted)
- pka
- 4.7 · 4.70±0.13(Predicted)
Chemistry & industry
Suppliers2 total
卡博森斯化学科技 (苏州) 有限公司+86 (512) 6260-5585 · [email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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