AG003DF0

19600-63-6 | 1,2-Epoxy-7-octene

AG003DF0

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CAS Number	19600-63-6
Catalog Number	AG003DF0(AGN-PC-0JKKVG)
Chemical Name	1,2-Epoxy-7-octene
EC Number	243-178-7
IUPAC Name	2-hex-5-enyloxirane
InChI	InChI=1S/C8H14O/c1-2-3-4-5-6-8-7-9-8/h2,8H,1,3-7H2
InChI Key	UKTHULMXFLCNAV-UHFFFAOYSA-N
MDL Number	MFCD00005156
Molecular Formula	C8H14O
Molecular Weight	126.1962
SMILES	C=CCCCCC1CO1
Synonyms	1,2-Epoxy-7-octene, 19600-63-6, Oxirane, 5-hexenyl-, 5-Hexenyloxirane, 7,8-Epoxyoctene, CCRIS 3749, EINECS 243-178-7, BRN 1305290, UKTHULMXFLCNAV-UHFFFAOYSA-N, MFCD00005156, J-640006, Oxirane, 5-hexenyl-, (S)-, 2-hex-5-enyloxirane, 2-hex-5-en-yloxirane, 2-(5-Hexenyl)oxirane, AC1L1HXE, 2-(hex-5-enyl)oxirane, 1,7-octadiene monoepoxide, ACMC-20ap64, ACMC-20m80w, 2-(5-Hexenyl)oxirane #, 1-Octene, 7,8-epoxy-, 5-17-01-00231 (Beilstein Handbook Reference), SCHEMBL132825, 7,8-EPOXY-1-OCTENE, 1,2-Epoxy-7-octene, 97%, CTK8C6220, 105205-70-7, AKOS025294826, FCH1115324, VZ20470, CC-02965, DB-008017, LS-101050, TC-172291, FT-0606442, FT-0606443, C-01040, J-800006, 5-Acetoxymethyl-2-furaldehyde, 2,2'-Dithiodibenzoyl chloride, C8H14O, C8-H14-O, CID29678,

Complexity	88.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.104g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	126.199g/mol
Monoisotopic Mass	126.104g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	12.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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