3-(4-Hydroxyphenyl)but-2-enoic acid
Basic information
- CAS
149636-52-2- Standard SMILES
C/C(=C\C(=O)O)c1ccc(O)cc1- InChIKey
DWJXOBZYFQWYTR-VOTSOKGWSA-N- Molecular formula
- C10H10O3
- Average molar mass
- 178.18 g/mol
- Monoisotopic mass
- 178.06299418
Names & identifiers
- Preferred name
- 3-(4-Hydroxyphenyl)but-2-enoic acid
- IUPAC
- (E)-3-(4-hydroxyphenyl)but-2-enoic acid
Names & synonyms
3-(4-hydroxyphenyl)but-2-enoic acid149636-52-2RefChem:493143851-160-0EN300-3086717
Database identifiers
- CAS
149636-52-2- PubChem CID
- 83957783
- EC Number
- 851-160-0
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 212
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…