AG007PWF

215872-46-1 | 4-Methylisoxazole-3-carboxylic acid

AG007PWF

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CAS Number	215872-46-1
Catalog Number	AG007PWF(AGN-PC-03HBGR)
Chemical Name	4-Methylisoxazole-3-carboxylic acid
IUPAC Name	4-methyl-1,2-oxazole-3-carboxylic acid
InChI	InChI=1S/C5H5NO3/c1-3-2-9-6-4(3)5(7)8/h2H,1H3,(H,7,8)
InChI Key	OFLBJRPOLLXDSC-UHFFFAOYSA-N
MDL Number	MFCD11870845
Molecular Formula	C5H5NO3
Molecular Weight	127.0981
SMILES	O=C(C1=NOC=C1C)O
Synonyms	4-methylisoxazole-3-carboxylic acid, 215872-46-1, 4-Methyl-1,2-oxazole-3-carboxylic acid, 4-methyl-isoxazole-3-carboxylic acid, 3-Isoxazolecarboxylic acid, 4-methyl-, 4-methylisoxazole-3-carboxylicacid, Methylisoxazolcarbonsaure, SCHEMBL1026251, CTK0J9641, DTXSID70619562, OFLBJRPOLLXDSC-UHFFFAOYSA-N, KS-00000Q5X, 3-Isoxazolecarboxylicacid,4-methyl-, 0980AB, ANW-60348, MFCD11870845, ZINC38530123, 3-Isoxazolecarboxylicacid, 4-methyl-, AKOS006380855, DS-3693, AJ-95517, AK101261, AN-29654, DB-009203, TC-064479, A4639, BB 0259426, FT-0692197, ST24043922, 872M461, I14-8520, Z2738925480, C5H5NO3,

Complexity	125
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	127.027g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	127.099g/mol
Monoisotopic Mass	127.027g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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