AG008TAQ

1105662-87-0 | tert-Butyl 3-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate

AG008TAQ

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CAS Number	1105662-87-0
Catalog Number	AG008TAQ(AGN-PC-0BKEFS)
Chemical Name	tert-Butyl 3-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate
IUPAC Name	tert-butyl 3-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate
InChI	InChI=1S/C11H17NO4/c1-11(2,3)16-10(14)12-6-8(7-12)5-9(13)15-4/h5H,6-7H2,1-4H3
InChI Key	DHTIDVBYPXKXSK-UHFFFAOYSA-N
MDL Number	MFCD13190429
Molecular Formula	C11H17NO4
Molecular Weight	227.2570
SMILES	COC(=O)C=C1CN(C1)C(=O)OC(C)(C)C
Synonyms	1105662-87-0, tert-Butyl 3-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate, 1-Boc-3-methoxycarbonylmethylene-azetidine, 1-Boc-3-methoxycarbonylmethyleneazetidine, tert-butyl 3-(2-methoxy-2-oxo-ethylidene)azetidine-1-carboxylate, 1-Boc-3-methoxycarbonylme, SCHEMBL428501, 1-Boc-3-methoxycarbonylme..., CTK8C0377, DTXSID10718780, DHTIDVBYPXKXSK-UHFFFAOYSA-N, BCP12535, CS-M1516, ANW-64580, MFCD13190429, ZINC44682124, AKOS015837064, AM90645, PB13590, RP07434, AS-33516, AB0039559, AB1011653, AJ-109912, TC-072467, FT-0684764, ST24049777, Y7042, J3.597.792I, C-8659, J-504357, 1-(tert-Butoxycarbonyl)azetidine-3-ylideneacetic acid methyl ester, 3-Methoxycarbonylmethylene-azetidine-1-carboxylic acid tert-butyl ester, C11H17NO4, tert-Butyl3-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.116g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	227.26g/mol
Monoisotopic Mass	227.116g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55.8A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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