AG002KZN

21080-81-9 | 3-Isoxazolecarboxylic acid, 5-cyclopropyl-, ethyl ester

AG002KZN

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CAS Number	21080-81-9
Catalog Number	AG002KZN(AGN-PC-0ALHE7)
Chemical Name	3-Isoxazolecarboxylic acid, 5-cyclopropyl-, ethyl ester
IUPAC Name	ethyl 5-cyclopropyl-1,2-oxazole-3-carboxylate
InChI	InChI=1S/C9H11NO3/c1-2-12-9(11)7-5-8(13-10-7)6-3-4-6/h5-6H,2-4H2,1H3
InChI Key	XMKHEATVFWAIMD-UHFFFAOYSA-N
MDL Number	MFCD11217157
Molecular Formula	C9H11NO3
Molecular Weight	181.1885
SMILES	CCOC(=O)C1=NOC(=C1)C1CC1
Synonyms	Ethyl 5-cyclopropylisoxazole-3-carboxylate, 21080-81-9, ethyl 5-cyclopropyl-1,2-oxazole-3-carboxylate, SCHEMBL892257, CTK8C2020, KS-00000BND, DTXSID80716930, XMKHEATVFWAIMD-UHFFFAOYSA-N, 0771AB, ANW-67634, MFCD11217157, ZINC82419790, AKOS006280720, TRA0061166, AK-85753, BBV-38270914, DA-17447, DS-18104, Ethyl5-Cyclopropylisoxazole-3-carboxylate, SY018271, AJ-125380, AX8237889, TC-156379, CS-0042956, FT-0769768, J3.618.736K, Z-4434, MFCD11217157 (95+%), 5-Cyclopropylisoxazole-3-carboxylic acid ethyl ester, 3-Isoxazolecarboxylic acid, 5-cyclopropyl-, ethyl ester, C9H11NO3, 351003-36-6,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.074g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	181.191g/mol
Monoisotopic Mass	181.074g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number