AG0032N4

10341-26-1 | 1,4-Oxazepan-5-one

AG0032N4

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CAS Number	10341-26-1
Catalog Number	AG0032N4(AGN-PC-0LWA2H)
Chemical Name	1,4-Oxazepan-5-one
IUPAC Name	1,4-oxazepan-5-one
InChI	InChI=1S/C5H9NO2/c7-5-1-3-8-4-2-6-5/h1-4H2,(H,6,7)
InChI Key	OXDIYMHNQAWSCL-UHFFFAOYSA-N
MDL Number	MFCD02683091
Molecular Formula	C5H9NO2
Molecular Weight	115.1305
SMILES	O1CCNC(CC1)=O
Synonyms	1,4-oxazepan-5-one, 10341-26-1, 4-oxacaprolactam, MFCD02683091, 1,4-Oxazepin-5(2H)-one, tetrahydro-, Homomorpholin-5-one, tetrahydro-1,4-oxazepin-5(2h)-one, AC1ODYVV, ACMC-1BSLY, AC1Q6ESS, SCHEMBL85668, CTK3J5152, DTXSID20427472, OXDIYMHNQAWSCL-UHFFFAOYSA-N, KS-00000M0J, ZINC2583441, Tetrahydro-1,4-oxazepin-5(4H)-one, AKOS005264442, CS-W021289, DS-9355, MCULE-6881734685, NE12131, SB22765, tetrahydro-(2H)-1,4-oxazepin-5-one, AJ-43228, AK158455, DA-48241, SY029460, RT-002368, 4CH-022568, FT-0690901, ST24036863, EN300-55046, MFCD02683091 (95%), I14-57565, F8881-7824, Z951367984, ZINC02583441, CID7023020,

Complexity	92.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	115.063g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	115.132g/mol
Monoisotopic Mass	115.063g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

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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