AG00CARE

38061-69-7 | 3-Isoxazolecarboxylicacid,4-methyl-,ethylester(9CI)

AG00CARE

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CAS Number	38061-69-7
Catalog Number	AG00CARE(AGN-PC-0023S6)
Chemical Name	3-Isoxazolecarboxylicacid,4-methyl-,ethylester(9CI)
IUPAC Name	ethyl 4-methyl-1,2-oxazole-3-carboxylate
InChI	InChI=1S/C7H9NO3/c1-3-10-7(9)6-5(2)4-11-8-6/h4H,3H2,1-2H3
InChI Key	GLIAHNBDYLZILU-UHFFFAOYSA-N
MDL Number	MFCD14584426
Molecular Formula	C7H9NO3
Molecular Weight	155.1513
SMILES	O=C(C1=NOC=C1C)OCC
Synonyms	ethyl 4-methylisoxazole-3-carboxylate, 38061-69-7, ethyl4-methylisoxazole-3-carboxylate, ethyl 4-methyl-1,2-oxazole-3-carboxylate, SCHEMBL6873803, CTK8B4634, DTXSID20562913, GLIAHNBDYLZILU-UHFFFAOYSA-N, ANW-45752, MFCD14584426, ZINC34344716, AKOS006334776, WT82211, AJ-88064, AS-43871, DB-014828, TC-064480, A6459, FT-0682485, ST24024957, W5882, 4-methyl-3-Isoxazolecarboxylic acid ethyl ester, Q-9295, 3-isoxazolecarboxylic acid,4-methyl-,ethyl ester, 4-Methyl-isoxazole-3-carboxylic acid ethyl ester, 3-Isoxazolecarboxylic acid, 4-methyl-, ethyl ester, 3-Isoxazolecarboxylicacid,4-methyl-,ethylester(9CI), I14-8525, C7H9NO3, 3-Isoxazolecarboxylic acid, 4-methyl-, ethyl ester (9CI),

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	155.058g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	155.153g/mol
Monoisotopic Mass	155.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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