AG0025QT

1780970-70-8 | 1,3-Azetidinedicarboxylic acid, 3-methoxy-, 1-(1,1-dimethylethyl) ester

AG0025QT

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CAS Number	1780970-70-8
Catalog Number	AG0025QT(AGN-PC-0WNGXD)
Chemical Name	1,3-Azetidinedicarboxylic acid, 3-methoxy-, 1-(1,1-dimethylethyl) ester
IUPAC Name	3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
InChI	InChI=1S/C10H17NO5/c1-9(2,3)16-8(14)11-5-10(6-11,15-4)7(12)13/h5-6H2,1-4H3,(H,12,13)
InChI Key	RDCWOPRWTAQCRG-UHFFFAOYSA-N
MDL Number	MFCD30749381
Molecular Formula	C10H17NO5
Molecular Weight	231.2457
SMILES	O=C(C1(OC)CN(C(OC(C)(C)C)=O)C1)O
Synonyms	1-[(tert-butoxy)carbonyl]-3-methoxyazetidine-3-carboxylic acid, 1780970-70-8, KS-000006DL, MFCD30749381, ZINC258077499, SB22315, AS-53873, CS-0052691, 1-[(t-Butoxy)carbonyl]-3-methoxyazetidine-3-carboxylic acid,

Complexity	301
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.111g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	231.248g/mol
Monoisotopic Mass	231.111g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	76.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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