2,3-Dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
Basic information
- CAS
103986-71-6- Standard SMILES
CC1Oc2c(C(=O)O)cccc2C1C- InChIKey
NDHRSRDLHFRGSK-UHFFFAOYSA-N- Molecular formula
- C11H12O3
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.07864424
Names & identifiers
- Preferred name
- 2,3-Dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
- IUPAC
- 2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
- English name
- 2,3-Dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
- Molecular formula
- C11H12O3
- Molecular weight
- 192.21
Names & synonyms
2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid103986-71-6SCHEMBL2926588NDHRSRDLHFRGSK-UHFFFAOYSA-NHMS1781G08DEA98671AKOS001177503AKOS022474623DB-191907EN300-153512,3-Dihydro-2,3-dimethyl-7-benzofurancarboxylic acid2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylicacid
Show more names
7-Benzofurancarboxylic acid, 2,3-dihydro-2,3-dimethyl-
2,3-dimethyl-2,3-dihydro-benzofuran-7-carboxylic acidZ133382192
Database identifiers
- CAS
103986-71-6- PubChem CID
- 4397197
- EC Number
- 877-254-1
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Boiling point
- 300.6 · 300.6±41.0 °C(Predicted)
- Density
- 1.185 · 1.185±0.06 g/cm3(Predicted)
- pka
- 4.17 · 4.17±0.60(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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