CAS 13626-59-0 3-Methoxy-1,2-oxazole-5-carboxylic acid (HCID 327717)

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Basic information

CAS: 13626-59-0
Standard SMILES: COc1cc(C(=O)O)on1
InChIKey: WMMGHBYADJNEOC-UHFFFAOYSA-N
Molecular formula: C5H5NO4
Average molar mass: 143.1 g/mol
Monoisotopic mass: 143.02185764

Names & identifiers

Preferred name: 3-Methoxy-1,2-oxazole-5-carboxylic acid
IUPAC: 3-methoxy-1,2-oxazole-5-carboxylic acid
English name: 3-Methoxy-isoxazole-5-carboxylic acid
Molecular formula: C5H5NO4
Molecular weight: 143.1

Names & synonyms

3-methoxy-1,2-oxazole-5-carboxylic acidRefChem:503006831-638-53-Methoxyisoxazole-5-carboxylic acid13626-59-03-METHOXY-ISOXAZOLE-5-CARBOXYLIC ACIDMFCD07368245NSC3037985-Isoxazolecarboxylic acid, 3-methoxy-SCHEMBL185759DTXSID403164953-Methoxyisoxazole-5-ca

Show more names

3-METH0XYIS0XAZ0LE-5- CARBOXYLIC ACID

3-Methoxyisoxazole-5-carboxylicacidNAA62659AKOS006286529AB31988NSC-303798BS-13335SY066921DB-063129

Database identifiers

CAS: 13626-59-0
PubChem CID: 327717
DTXSID: DTXSID40316495
EC Number: 831-638-5
Nikkaji: J1.184.375A

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 72.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 138

Physicochemical properties

Melting point: 134 · 134-136°
storage temp.: 2 · 2-8°C
form: solid
Appearance: White to off-white Solid
InChI: 1S/C5H5NO4/c1-9-4-2-3(5(7)8)10-6-4/h2H,1H3,(H,7,8)
InChIKey: WMMGHBYADJNEOC-UHFFFAOYSA-N
SMILES: COc1cc(on1)C(O)=O
UNSPSC Code: 12352106 · 12352106
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
WGK Germany: 3 · WGK 3
HS Code: 2934999090 · 2934999090
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.