3-Propyl-1,2-oxazole-5-carboxylic acid
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Basic information
- CAS
14716-92-8- Standard SMILES
CCCc1cc(C(=O)O)on1- InChIKey
JHEZCMNYXDKGTQ-UHFFFAOYSA-N- Molecular formula
- C7H9NO3
- Average molar mass
- 155.15 g/mol
- Monoisotopic mass
- 155.05824315
Names & identifiers
- Preferred name
- 3-Propyl-1,2-oxazole-5-carboxylic acid
- IUPAC
- 3-propyl-1,2-oxazole-5-carboxylic acid
- English name
- 5-Isoxazolecarboxylicacid,3-propyl-(8CI)
- Molecular formula
- C7H9NO3
- Molecular weight
- 155.15
Names & synonyms
14716-92-83-propyl-1,2-oxazole-5-carboxylic acidDTXSID00602149RefChem:505056DTXCID305529063-PROPYL-5-ISOXAZOLECARBOXYLIC ACID832-175-13-propylisoxazole-5-carboxylic acid3-Propyl-isoxazole-5-carboxylic acidMFCD097017335-Isoxazolecarboxylic acid, 3-propyl-5-Isoxazolecarboxylicacid,3-propyl-(8CI)
Show more names
3-propylisoxazole-5-carboxylic acid(SALTDATA: FREE)
5-Isoxazolecarboxylicacid, 3-propyl-SCHEMBL2530338JHEZCMNYXDKGTQ-UHFFFAOYSA-N3-Propylisoxazole-5-carboxylicacidALBB-009882SBB025167STK352108AKOS000302556
Database identifiers
- CAS
14716-92-8- PubChem CID
- 20072746
- DTXSID
DTXSID00602149- EC Number
- 832-175-1
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- 117 °C · 117 °C
- Boiling point
- 321.5 · 321.5±30.0 °C(Predicted)
- Density
- 1.218 · 1.218±0.06 g/cm3(Predicted)
- pka
- 2.35 · 2.35±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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