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Basic information
- CAS
936693-17-3- Standard SMILES
C#Cc1ccccc1CC(=O)O- InChIKey
FSBGQUFYQODLLW-UHFFFAOYSA-N- Molecular formula
- C10H8O2
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.05242949
Names & identifiers
- Preferred name
- 2-(2-Ethynylphenyl)acetic acid
- IUPAC
- 2-(2-ethynylphenyl)acetic acid
Names & synonyms
2-(2-ethynylphenyl)acetic acid936693-17-3RefChem:453815990-575-22-Ethynylphenylacetic Acid2-(2-ethynylphenyl)aceticacidSCHEMBL3618428FSBGQUFYQODLLW-UHFFFAOYSA-NLMB69317MFCD20657581AKOS040815737SY272887
Show more names
CS-0432068EN300-214056G73212F762442F2167-5100
Database identifiers
- CAS
936693-17-3- PubChem CID
- 58772865
- EC Number
- 990-575-2
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 211
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Related reactions
1 records
Compound notes
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