AG01A30K

1375303-94-8 | 2-{1-[(tert-butoxy)carbonyl]azetidin-3-ylidene}acetic acid

AG01A30K

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CAS Number	1375303-94-8
Catalog Number	AG01A30K(AGN-PC-0WOCY1)
Chemical Name	2-{1-[(tert-butoxy)carbonyl]azetidin-3-ylidene}acetic acid
IUPAC Name	2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-ylidene]acetic acid
InChI	InChI=1S/C10H15NO4/c1-10(2,3)15-9(14)11-5-7(6-11)4-8(12)13/h4H,5-6H2,1-3H3,(H,12,13)
InChI Key	WUQWIJLITMLESN-UHFFFAOYSA-N
MDL Number	MFCD22381797
Molecular Formula	C10H15NO4
Molecular Weight	213.2304
SMILES	C(C)(C)(C)OC(=O)N1CC(C1)=CC(=O)O
Synonyms	1375303-94-8, 2-(1-(tert-Butoxycarbonyl)azetidin-3-ylidene)acetic acid, 2-{1-[(tert-butoxy)carbonyl]azetidin-3-ylidene}acetic acid, SCHEMBL16995873, ZINC88611630, AKOS026730263, FCH1620206, NE42503, SB13652, BBV-44996293, NS-00136, EN300-119784, 2-(1-(tert-Butoxycarbonyl)azetidin-3-ylidene)aceticacid,

Complexity	306
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.1g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	213.233g/mol
Monoisotopic Mass	213.1g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	\N

Certificate of Analysis

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