Trans-2-Hexenoic acid

CAT: 0024-sc-229486CSize: 500 gDry Ice: NoHazardous: No

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CAT#:0024-sc-229486CSize:500 g

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CAS Number

13419-69-7

Chemical Information

2-Hexenoic acid, (2E)-

(2E)-hexenoic acid is the (E)-stereoisomer of hexenoic acid. It has a role as a metabolite. It is a conjugate acid of a (2E)-hexenoate.

CAS Number	13419-69-7
PubChem CID	5282707
IUPAC Name	(E)-hex-2-enoic acid
Molecular Formula	C6H10O2
Molecular Weight	114.14
XLogP	1.6
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	94

SMILES

CCC/C=C/C(=O)O

InChI

InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4+

InChIKey

NIONDZDPPYHYKY-SNAWJCMRSA-N

Chemical Structure

2D Structure

CAS: 13419-69-7

CID: 5282707

Formula: C6H10O2

MW: 114.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	114.14
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	114.068079557
Monoisotopic Mass	114.068079557
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	94.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-229508	Trans-3-Hexenoic acid
sc-267536	4-Hexenoic acid, cis + trans
sc-265784	2-Methyl-2-hexenoic acid
sc-226972	5-Hexenoic acid
sc-334866	2- (m-Carboxybenzyl) -5-hexenoic acid
sc-489447	(2E) -2-Hexenoic Acid Ethyl-d5 Ester
sc-489448	(2E) -2-Hexenoic Acid Methyl-d3 Ester
sc-480104	(E) -6-Amino-2-hexenoic Acid Hydrochloride
sc-210547	6-Phenyl-5-hexenoic Acid
sc-478720	4-Oxo-5-hexenoic Acid

Catalog	Name
H05780-01	Trans-2-Hexenoic acid
AR-C08222-01	Trans-2-Hexenoic Acid-Coenzyme A
HY-W010532-01	Trans-3-Hexenoic acid
H05790-01	Trans-3-Hexenoic acid 97%
TRC-H294920-1G	(2E)-2-Hexenoic Acid
160159	(2E) -2-Hexenoic Acid
OR950127-01	2-Methyl-2-hexenoic acid
AR-C08221-01	Cis-2-Hexenoic Acid-Coenzyme A
JH916805	5-Hexenoic acid
TRC-D358075-250MG	2,2-Dipropyl-3-hexenoic Acid