Basic information
- CAS
1048918-56-4- Standard SMILES
Cc1nc(-c2ccc(C(=O)O)cc2)oc1C- InChIKey
FKNSFXRDSCZSIG-UHFFFAOYSA-N- Molecular formula
- C12H11NO3
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.07389321
Names & identifiers
- Preferred name
- 4-(4,5-Dimethyloxazol-2-yl)benzoic acid
- IUPAC
- 4-(4,5-dimethyl-1,3-oxazol-2-yl)benzoic acid
- English name
- 4-(4,5-Dimethyloxazol-2-yl)benzoicacid
- Molecular formula
- C12H11NO3
- Molecular weight
- 217.22
Names & synonyms
4-(4,5-Dimethyloxazol-2-yl)benzoic acid1048918-56-44-(4,5-Dimethyl-oxazol-2-yl)-benzoic acidSCHEMBL505227FKNSFXRDSCZSIG-UHFFFAOYSA-NAKOS0159963494-(4,5-Dimethyloxazol-2-yl)benzoicacidDA-159724-(4,5-Dimethyl-2-oxazolyl)benzoic acidBenzoic acid, 4-(4,5-dimethyl-2-oxazolyl)-
Database identifiers
- CAS
1048918-56-4- PubChem CID
- 28293547
- EC Number
- 179-818-6
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 261
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%)
Chemistry & industry
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
1 records
Compound notes
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