AG0038P6

50624-94-7 | tert-Butyl ethyl oxalate

AG0038P6

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CAS Number	50624-94-7
Catalog Number	AG0038P6(AGN-PC-002388)
Chemical Name	tert-Butyl ethyl oxalate
IUPAC Name	2-O-tert-butyl 1-O-ethyl oxalate
InChI	InChI=1S/C8H14O4/c1-5-11-6(9)7(10)12-8(2,3)4/h5H2,1-4H3
InChI Key	ZFGBGKKWENABEC-UHFFFAOYSA-N
MDL Number	MFCD11052953
Molecular Formula	C8H14O4
Molecular Weight	174.1944
SMILES	O=C(OCC)C(OC(C)(C)C)=O
Synonyms	tert-butyl ethyl oxalate, 50624-94-7, Ethanedioic acid, 1-(1,1-dimethylethyl) 2-ethyl ester, Oxalic acid tert-butyl ester ethyl ester, Ethanedioic acid, 1,1-dimethylethyl ethyl ester, Ethyl t-butyl oxalate, tert-Butyl ethyl ethanedioate, Ethanedioicacid,1-(1,1-dimethylethyl)2-ethylester, SCHEMBL2294428, CTK8D4072, DTXSID70562600, ZFGBGKKWENABEC-UHFFFAOYSA-N, Ethyl 2-methyl-2-propanyl oxalate, KS-000000JU, MFCD11052953, ZINC34334819, AKOS006309995, ACN-053028, MCULE-1616954271, PB31527, ACM50624947, Oxalic acid 1-ethyl 2-tert-butyl ester, AK172005, BC686744, BS-10105, SC-29641, TC-062636, CS-0048102, FT-0713949, EN300-137113, Q-1122, Ethanedioic acid,1-(1,1-dimethylethyl) 2-ethyl ester, Ethanedioicacid,1- 2-ethylester, A7510,

Complexity	178
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.089g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	174.196g/mol
Monoisotopic Mass	174.089g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H318-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 3265

Certificate of Analysis

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