5-Methylisoxazole-3-carboxylic acid, 99%

Name: 5-Methylisoxazole-3-carboxylic acid
Brand: Chempure

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CAS Number

3405-77-4

Molecular Weight

127.1

Formula

C5H5NO3

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About this item

IUPAC name	5-methyl-1,2-oxazole-3-carboxylic acid
inchi	InChI=1S/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8)
inchi key	BNMPIJWVMVNSRD-UHFFFAOYSA-N
molecular formula	C5H5NO3
synonyms	5-Methylisoxazole-3-carboxylic acid 3405-77-4 5-methyl-1,2-oxazole-3-carboxylic acid 3-ISOXAZOLECARBOXYLIC ACID, 5-METHYL- MFCD01318162

Computed Properties

Molecular Weight:	127.10 g/mol
XLogP3:	0.7
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	1
Exact Mass:	127.026943022 g/mol
Monoisotopic Mass:	127.026943022 g/mol
Topological Polar Surface Area:	63.3 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	125
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (90%) Eye Irrit. 2A (90%) STOT SE 3 (80%)
precautionary statement codes	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
hazard statements	H315 (90%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (90%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: AA9411

5-Methylisoxazole-3-carboxylic acid, 99%

Product No: AA9411

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Product No: AA9411

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?