AG00IB79

63366-79-0 | Ethyl 3-methyl-1,2-oxazole-5-carboxylate

AG00IB79

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CAS Number	63366-79-0
Catalog Number	AG00IB79(AGN-PC-0N2NJO)
Chemical Name	Ethyl 3-methyl-1,2-oxazole-5-carboxylate
IUPAC Name	ethyl 3-methyl-1,2-oxazole-5-carboxylate
InChI	InChI=1S/C7H9NO3/c1-3-10-7(9)6-4-5(2)8-11-6/h4H,3H2,1-2H3
InChI Key	LPMIZTNZMHVVSS-UHFFFAOYSA-N
MDL Number	MFCD11656615
Molecular Formula	C7H9NO3
Molecular Weight	155.1513
SMILES	O=C(C1=CC(C)=NO1)OCC
Synonyms	Ethyl 3-Methylisoxazole-5-carboxylate, 63366-79-0, Ethyl 3-methyl-1,2-oxazole-5-carboxylate, 5-ISOXAZOLECARBOXYLIC ACID, 3-METHYL-, ETHYL ESTER, 3-methyl-isoxazole-5-carboxylic acid ethyl ester, 3-Methyl-5-isoxazolecarboxylic acid ethyl ester, 3-methylisoxazole-5-carboxylic acid ethyl ester, ethyl3-methylisoxazole-5-carboxylate, SCHEMBL1800827, CTK8B5026, KS-00000HWX, DTXSID70438119, LPMIZTNZMHVVSS-UHFFFAOYSA-N, QC-51, ALBB-014296, BCP14107, ANW-47097, BBL004014, CE-818, MFCD11656615, STK510032, ZINC22637477, AKOS005174252, AS-5345, DS-1711, MCULE-2088021483, AJ-81434, AK-76671, BR-76671, CJ-17380, SC-50125, AB0003781, AB1010132, DB-014797, TR-021823, 4CH-008756, A8730, AM20100566, BB 0258844, CS-0085260, FT-0682486, ST24030574, W7535, 5-Isoxazolecarboxylic acid,3-methyl-ethyl ester, 5-Isoxazolecarboxylicacid,3-methyl-,ethyl ester, S-6546, I14-11008, 5-Isoxazolecarboxylicacid,3-methyl-,ethylester(6CI,7CI,9CI), null, C7H9NO3, ACN-025398, CB11550, CID10329487, 5-Isoxazolecarboxylic acid, 3-methyl-, ethyl ester (6CI,7CI,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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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