Methyl Penta-2,4-Dienoate

CAT: 0127-OR1027796-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1027796-01Size:100 mg

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CAS Number

1515-75-9

Synonyms

Methyl (2E) -penta-2,4-dienoate

Purity

98%

Smiles

COC(=O)/C=C/C=C

Chemical Information

Methyl penta-2,4-dienoate

CAS Number	1515-75-9
PubChem CID	6001087
IUPAC Name	methyl (2E)-penta-2,4-dienoate
Molecular Formula	C6H8O2
Molecular Weight	112.13
XLogP	1.4
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	114

SMILES

COC(=O)/C=C/C=C

InChI

InChI=1S/C6H8O2/c1-3-4-5-6(7)8-2/h3-5H,1H2,2H3/b5-4+

InChIKey

LJDLNNZTQJVBNJ-SNAWJCMRSA-N

Chemical Structure

2D Structure

CAS: 1515-75-9

CID: 6001087

Formula: C6H8O2

MW: 112.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	112.13
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	112.052429494
Monoisotopic Mass	112.052429494
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	114
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
OR1035089-01	Methyl (E) -penta-2,4-dienoate
OR25815	Ethyl 5-chloro-2-cyano-5- (2-hydroxyphenyl) penta-2,4-dienoate
OR1071149-01	(2E,4E) -Methyl 6-bromohexa-2,4-dienoate
OR1014580	Penta-2,4-Dienoic Acid
OR1079531-01	2- (Penta-4-Ynyl) -2-Oxazoline
OR1063972-01	Sodium (2E,4E) -hexa-2,4-dienoate
OR1028160-01	(2E,4Z) -Ethyl Deca-2,4-Dienoate
OR1032707-01	((penta-3,4-dien-1-yloxy) methyl) benzene
OR1075601-01	(Z) -penta-2,4-dienoic acid
OR955546	(2E,4E) -5-Phenyl-penta-2,4-dienoic acid methyl ester

Catalog	Name
RG-M130504-01	Methyl Hexa-2,4-Dienoate
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AL F1 8007-01	Ethyl (2E,4Z) -5- (4-chlorophenyl) -2-cyano-5-[ (4-methyl-1,2,4-triazol-3-yl) sulfanyl]penta-2,4-dienoate
TRC-M951320-500MG	Methyl (4E,6E)-8-Methylnona-4,6-dienoate
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TRC-H663120-50MG	4-Hydroxy-3-methyl-2-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-one
RG-M050819-01	(9Z,11E) -Methyl Octadeca-9,11-Dienoate