AG00805J

13626-59-0 | 3-Methoxyisoxazole-5-carboxylic acid

AG00805J

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CAS Number	13626-59-0
Catalog Number	AG00805J(AGN-PC-0JM5MR)
Chemical Name	3-Methoxyisoxazole-5-carboxylic acid
IUPAC Name	3-methoxy-1,2-oxazole-5-carboxylic acid
InChI	InChI=1S/C5H5NO4/c1-9-4-2-3(5(7)8)10-6-4/h2H,1H3,(H,7,8)
InChI Key	WMMGHBYADJNEOC-UHFFFAOYSA-N
MDL Number	MFCD07368245
Molecular Formula	C5H5NO4
Molecular Weight	143.0975
NSC Number	303798
SMILES	COC1=NOC(=C1)C(O)=O
Synonyms	3-Methoxyisoxazole-5-carboxylic acid, 13626-59-0, 3-METHOXY-ISOXAZOLE-5-CARBOXYLIC ACID, 3-methoxy-1,2-oxazole-5-carboxylic acid, NSC303798, SCHEMBL185759, AC1L714B, CTK4C0235, DTXSID40316495, WMMGHBYADJNEOC-UHFFFAOYSA-N, KS-00001AC0, ZINC1567451, 5-Isoxazolecarboxylicacid,3-methoxy-, 6455AA, ANW-57642, MFCD07368245, AKOS006286529, AB31988, ACN-045338, NSC-303798, 5-Isoxazolecarboxylic acid, 3-methoxy-, AJ-27159, BS-13335, DB-063129, TC-146387, 3-METHOXY-ISOXAZOLE-5-CARBOXYLICACID, CS-0036212, FT-0748246, ST24042284, C-1765, 3-methoxy-isoxazole-5-carboxylic acid, AldrichCPR, F2199-0062, C5H5NO4, CID327717,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	143.022g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	143.098g/mol
Monoisotopic Mass	143.022g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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