AG00DSOK

54845-28-2 | (E)-2-Hexenyl (E)-2-Hexenoate

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CAS Number	54845-28-2
Catalog Number	AG00DSOK(AGN-PC-0OC4PM)
Chemical Name	(E)-2-Hexenyl (E)-2-Hexenoate
IUPAC Name	[(E)-hex-2-enyl] (E)-hex-2-enoate
InChI	InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h7-10H,3-6,11H2,1-2H3/b9-7+,10-8+
InChI Key	QZZVRWSUQQJJOS-FIFLTTCUSA-N
MDL Number	MFCD30534014
Molecular Formula	C12H20O2
Molecular Weight	196.2860
SMILES	C(C=CCCC)(=O)OCC=CCCC
Synonyms	(E)-2-Hexenyl (E)-2-hexenoate, 54845-28-2, E2HE2H, (E)-(E)-Hex-2-en-1-yl hex-2-enoate, AC1NSS8L, 2-Hexenoic acid, 2-hexenyl ester, (E,E)-, 2-Hexenoic acid 2-hexenyl ester, QZZVRWSUQQJJOS-FIFLTTCUSA-N, LMFA07010588, AKOS028112478, (2E)-2-Hexenyl (2E)-2-hexenoate #, [(E)-hex-2-enyl] (E)-hex-2-enoate, WE(6:1(2E)/6:1(2E)), 2-Hexenoic acid, (2E)-2-hexenyl ester, (2E)-, (2E)-2-Hexenyl (2E)-2-hexenoate, CID5369062, WE(12:2), (2E)-2-Hexenoic acid (2E)-2-hexen-1-yl ester,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Exact Mass	196.146g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	196.29g/mol
Monoisotopic Mass	196.146g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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