Basic information
- CAS
730951-42-5- Standard SMILES
Cc1cc2occ(CC(=O)O)c2cc1C(C)C- InChIKey
OSRZHJPDAPUGSU-UHFFFAOYSA-N- Molecular formula
- C14H16O3
- Average molar mass
- 232.27 g/mol
- Monoisotopic mass
- 232.10994437
Names & identifiers
- Preferred name
- 2-[6-Methyl-5-(propan-2-yl)-1-benzofuran-3-yl]acetic acid
- IUPAC
- 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetic acid
Names & synonyms
730951-42-52-[6-methyl-5-(propan-2-yl)-1-benzofuran-3-yl]acetic acid2-(6-methyl-5-(propan-2-yl)-1-benzofuran-3-yl)acetic acidRefChem:459257991-401-8(5-Isopropyl-6-methyl-benzofuran-3-yl)-acetic acidMFCD046217002-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetic acidHMS1748G21FEB95142AKOS008967128SY132915
Show more names
CS-0220263EN300-06202G41082SR-010000470012-(5-Isopropyl-6-methylbenzofuran-3-yl)acetic AcidSR-01000047001-12-(5-isopropyl-6-methyl-benzofuran-3-yl)acetic acidZ56943797
Database identifiers
- CAS
730951-42-5- PubChem CID
- 2394036
- EC Number
- 991-401-8
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
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
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