AG00G70R

748805-97-2 | tert-Butyl 6-oxo-1,4-oxazepane-4-carboxylate

AG00G70R

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CAS Number	748805-97-2
Catalog Number	AG00G70R(AGN-PC-0U6A1S)
Chemical Name	tert-Butyl 6-oxo-1,4-oxazepane-4-carboxylate
IUPAC Name	tert-butyl 6-oxo-1,4-oxazepane-4-carboxylate
InChI	InChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-4-5-14-7-8(12)6-11/h4-7H2,1-3H3
InChI Key	PFSHWTZFMZJJMP-UHFFFAOYSA-N
MDL Number	MFCD11976154
Molecular Formula	C10H17NO4
Molecular Weight	215.2463
SMILES	O=C(N(C1)CCOCC1=O)OC(C)(C)C
Synonyms	tert-Butyl 6-oxo-1,4-oxazepane-4-carboxylate, 748805-97-2, N-Boc-6-oxo-1,4-oxazepane, 4-Boc-6-oxo-1,4-oxazepane, SCHEMBL1280597, KS-00001AIZ, 6-oxo-[1,4]oxazepane-4-carboxylic acid tert-butyl ester, DTXSID60647753, PFSHWTZFMZJJMP-UHFFFAOYSA-N, 6-oxo-1,4-oxazepane-4-carboxylate, 4626AJ, MFCD11976154, ZINC66054704, AS-35649, SC-36273, AB0073540, AJ-115702, CS-0037504, A-2482, 4-(tert-Butyloxycarbonyl)hexahydro-1,4-oxazepine-6-one, tert-butyl, C10H17NO4, ACN-045230,

Complexity	257
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.116g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	215.249g/mol
Monoisotopic Mass	215.116g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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