AG002YNF

29520-88-5 | 1H-Azepine-2,4(3H,5H)-dione, dihydro-

AG002YNF

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CAS Number	29520-88-5
Catalog Number	AG002YNF(AGN-PC-02O93I)
Chemical Name	1H-Azepine-2,4(3H,5H)-dione, dihydro-
IUPAC Name	azepane-2,4-dione
InChI	InChI=1S/C6H9NO2/c8-5-2-1-3-7-6(9)4-5/h1-4H2,(H,7,9)
InChI Key	IRSLHFZTRANCOL-UHFFFAOYSA-N
MDL Number	MFCD19217055
Molecular Formula	C6H9NO2
Molecular Weight	127.1412
SMILES	O=C(C1)NCCCC1=O
Synonyms	Azepane-2,4-dione, 29520-88-5, 1H-Azepine-2,4(3H,5H)-dione, dihydro-, 3-oxocaprolactam, 2,4-Dioxohexahydroazepine, SCHEMBL1555860, Hexahydro-1H-azepine-2,4-dione, IRSLHFZTRANCOL-UHFFFAOYSA-N, KS-00000SP2, 3822AJ, MFCD19217055, ZINC59360148, AKOS006347693, DS-8327, AK163792, FT-0761688, ST24045990, Z-7911, F2147-2486, Z2236735703, C6H9NO2, 1H-Tetrahydro-Azepine-2,4-dione,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	127.063g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	127.143g/mol
Monoisotopic Mass	127.063g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	46.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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