(2E)-3-(1,3-oxazol-4-yl)prop-2-enoic acid
Basic information
- CAS
28418-38-4- Standard SMILES
O=C(O)/C=C/c1cocn1- InChIKey
QNLZFVHPBRIIKI-OWOJBTEDSA-N- Molecular formula
- C6H5NO3
- Average molar mass
- 139.11 g/mol
- Monoisotopic mass
- 139.02694302
Names & identifiers
- Preferred name
- (2E)-3-(1,3-oxazol-4-yl)prop-2-enoic acid
- IUPAC
- (E)-3-(1,3-oxazol-4-yl)prop-2-enoic acid
Names & synonyms
28418-38-4(2E)-3-(1,3-oxazol-4-yl)prop-2-enoic acidRefChem:396358818-648-5(2E)-3-(1,3-oxazol-4-yl)prop-2-enoic acid, E(E)-3-(Oxazol-4-yl)acrylic acid2416399-55-6SCHEMBL17184812AKOS034139619(E)-3-(1,3-oxazol-4-yl)prop-2-enoic acidEN300-1589262(2E)-3-(1,3-oxazol-4-yl)prop-2-enoicacid,E
Show more names
Z2633786305
Database identifiers
- CAS
28418-38-4- PubChem CID
- 83764652
- EC Number
- 818-648-5
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 155
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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