Hex-4-enoic acid

CAT: 0127-OR60122-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR60122-01Size:100 mg

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CAS Number

35194-36-6

MDL Number

MFCD00041036

Purity

92%

Smiles

C\C=C\CCC(=O)O

Additionnal Information

Mixture of cis/trans isomers

Chemical Information

4-Hexenoic acid

CAS Number	35194-36-6
PubChem CID	101384
IUPAC Name	hex-4-enoic acid
Molecular Formula	C6H10O2
Molecular Weight	114.14
XLogP	1.1
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

CC=CCCC(=O)O

InChI

InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h2-3H,4-5H2,1H3,(H,7,8)

InChIKey

NIDHFQDUBOVBKZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 35194-36-6

CID: 101384

Formula: C6H10O2

MW: 114.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	114.14
XLogP3	1.1
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	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1054490-01	Hex-3-enoic acid
PC106109	(2E) -3- (4-Fluorophenyl) hex-2-enoic acid
PC106116	(2E) -4-Ethyl-3- (4-fluorophenyl) hex-2-enoic acid
OR29278	4-oxo-6- (3,4,5-trimethoxyphenyl) hex-5-enoic acid
PC2044	2-Amino-2- (trifluoromethyl) hex-5-enoic acid
OR1060633-01	Hex-4-ynoic acid
OR83540-01	(S) -2- ((tert-Butoxycarbonyl) amino) hex-5-enoic acid
PC4807M	4,5,5,6,6,6-Hexafluoro-4- (trifluoromethyl) hex-2-enoic acid
OR930895-01	4-Methylpent-4-enoic acid
OR83472-01	(S) -3- ((tert-Butoxycarbonyl) amino) hex-5-enoic acid

Catalog	Name
428998-01	4- (4-Amino-hex-5-enoylamino) -hex-5-enoic Acid
TRC-A610605-100MG	4-(4-Amino-hex-5-enoylamino)-hex-5-enoic Acid
TCL-00001	Trans-Hex-2-enoic acid
AL BE 0723-01	(Z) -hex-3-enoic acid
TRC-M340388-100MG	5-Methyl-3-(nitromethyl)hex-4-enoic Acid
WKC68052-01	2- (2-Methylpropyl) hex-5-enoic acid
TRC-M311960-50MG	5-Methyl-2-hex-2-enoic Acid
QYB49386-01	(2E) -6-[ (tert-Butyldimethylsilyl) oxy]hex-2-enoic acid
TRC-M312075-50MG	5-Methyl-2-hex-2-enoic Acid Methyl Ester
MBS6061414-01	5-Methyl-2-hex-2-enoic Acid, Ethyl Ester