AG000WVF

1272758-40-3 | 1,4-Oxazepine-4(5H)-carboxylic acid, tetrahydro-6-hydroxy-, 1,1-dimethylethyl ester

AG000WVF

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CAS Number	1272758-40-3
Catalog Number	AG000WVF(AGN-PC-04SVQJ)
Chemical Name	1,4-Oxazepine-4(5H)-carboxylic acid, tetrahydro-6-hydroxy-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 6-hydroxy-1,4-oxazepane-4-carboxylate
InChI	InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-4-5-14-7-8(12)6-11/h8,12H,4-7H2,1-3H3
InChI Key	HFIKYUQRVQDAKC-UHFFFAOYSA-N
MDL Number	MFCD18711407
Molecular Formula	C10H19NO4
Molecular Weight	217.2622
SMILES	O=C(N1CCOCC(O)C1)OC(C)(C)C
Synonyms	1272758-40-3, tert-Butyl 6-hydroxy-1,4-oxazepane-4-carboxylate, N-BOC-6-HYDROXY-1,4-OXAZEPANE, 4-Boc-6-Hydroxy-[1,4]oxazepane, (R)-TERT-BUTYL 6-HYDROXY-1,4-OXAZEPANE-4-CARBOXYLATE, (S)-TERT-BUTYL 6-HYDROXY-1,4-OXAZEPANE-4-CARBOXYLATE, 4-Boc-6-Hydroxy-1,4oxazepane, SCHEMBL16903387, KS-00001AUR, 4-Boc-6-Hydroxy-[1,4oxazepane, 4623AJ, MFCD18711407, ACN-047837, AS-35648, AB0073539, CS-0037622, Z-7266, 6-Hydroxy-[1,4]oxazepane-4-carboxylic acid tert-butyl ester, 1,4-Oxazepine-4(5H)-carboxylic acid, tetrahydro-6-hydroxy-, 1,1-dimethylethyl ester, C10H19NO4, 1260589-26-1, 1260616-96-3,

Complexity	224
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	2
Topological Polar Surface Area	59A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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