AG0025MW

177947-96-5 | 1-Boc-3-azetidinecarboxaldehyde

AG0025MW

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CAS Number	177947-96-5
Catalog Number	AG0025MW(AGN-PC-0N9INF)
Chemical Name	1-Boc-3-azetidinecarboxaldehyde
IUPAC Name	tert-butyl 3-formylazetidine-1-carboxylate
InChI	InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-4-7(5-10)6-11/h6-7H,4-5H2,1-3H3
InChI Key	JVQOZRRUGOADSU-UHFFFAOYSA-N
MDL Number	MFCD06656142
Molecular Formula	C9H15NO3
Molecular Weight	185.2203
SMILES	C(C)(C)(C)OC(=O)N1CC(C1)C=O
Synonyms	177947-96-5, Tert-butyl 3-formylazetidine-1-carboxylate, 1-Boc-3-azetidinecarboxaldehyde, 1-Boc-3-Formylazetidine, 1-Boc-azetidine-3-carboxaldehyde, MFCD06656142, Azetidine-3-carboxaldehyde, 1-Azetidinecarboxylic acid, 3-formyl-, 1,1-dimethylethyl ester, 1-(tert-butoxycarbonyl)azetidine-3-carboxaldehyde, 3-formylazetidine-1-carboxylic acid tert-butylester, PubChem10136, 1-Boc-3-Formyl azetidine, SCHEMBL478842, 3-Formyl-azetidine-1-carboxylic acid tert-butyl ester, AMOT0117, CTK4D6632, KS-00000JVA, DTXSID00443973, JVQOZRRUGOADSU-UHFFFAOYSA-N, 1-N-Boc-3-azetidinecarboxaldehyde, 9335AA, ANW-57853, BBL103449, CB-142, SBB068458, STL557259, ZINC15022026, AKOS005146136, tert-butyl 3-formylazetidinecarboxylate, CS-W004759, LS41575, PS-8500, RP09443, RTC-062035, SB10124, AC-24373, AJ-67088, AK-33764, AM803370, SC-01857, tert-butyl3-formylazetidine-1-carboxylate, AB0047969, DB-012960, ST1010017, 4CH-005664, Azetidine-3-carboxaldehyde, N-BOC protected, FT-0648156, Azetidine-3-carboxaldehyde, N1-BOC protected, A26701, B-1679, C-3190, 1,1-dimethylethyl 3-formyl-1-azetidinecarboxylate, 3-ForMyl-azetidine-1-carboxylicacidtert-butylester, 3-formyl-azetidine-1-carboxylic acid tert-butyl es, 3-formylazetidine-1-carboxylic acid tert-butyl ester, I14-6984, J-011333, J-524544, 3-Formylazetidine-1-car-boxylic acid tert-butyl ester, 1-Azetidinecarboxylicacid, 3-formyl-, 1,1-dimethylethyl ester, C9H15NO3, 1-Boc-3-Azetidine carboxaldehyde, CID10726182, B5160,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.105g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	185.223g/mol
Monoisotopic Mass	185.105g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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