AG0025OR

1779977-63-7 | 1-Azetidinecarboxylic acid, 3-(hydroxymethyl)-3-methoxy-, 1,1-dimethylethyl ester

AG0025OR

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CAS Number	1779977-63-7
Catalog Number	AG0025OR(AGN-PC-0WNGXC)
Chemical Name	1-Azetidinecarboxylic acid, 3-(hydroxymethyl)-3-methoxy-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-(hydroxymethyl)-3-methoxyazetidine-1-carboxylate
InChI	InChI=1S/C10H19NO4/c1-9(2,3)15-8(13)11-5-10(6-11,7-12)14-4/h12H,5-7H2,1-4H3
InChI Key	JNGYMJCVNWIXLH-UHFFFAOYSA-N
MDL Number	MFCD30063179
Molecular Formula	C10H19NO4
Molecular Weight	217.2622
SMILES	O=C(N1CC(OC)(CO)C1)OC(C)(C)C
Synonyms	1779977-63-7, tert-Butyl 3-(hydroxymethyl)-3-methoxyazetidine-1-carboxylate, KS-000006DK, MFCD30063179, AKOS027383924, ZINC258289411, SB22314, CS-0048364, 1-Azetidinecarboxylic acid, 3-(hydroxymethyl)-3-methoxy-, 1,1-dimethylethyl ester, 3-(Hydroxymethyl)-3-methoxy-1-azetidinecarboxylic acid 1,1-dimethylethyl ester,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.131g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	217.265g/mol
Monoisotopic Mass	217.131g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	59A^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-P305+P351+P338
UN Code	\N

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