3-Octenoic Acid

CAT: 0024-sc-289224Size: 5 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-289224Size:5 mL

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CAS Number

1577-19-1

Chemical Information

3-Octenoic acid

3-Octenoic acid has been reported in Arctium lappa with data available.

CAS Number	1577-19-1
PubChem CID	15307
IUPAC Name	oct-3-enoic acid
Molecular Formula	C8H14O2
Molecular Weight	142.20
XLogP	2.3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	116

SMILES

CCCCC=CCC(=O)O

InChI

InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h5-6H,2-4,7H2,1H3,(H,9,10)

InChIKey

IWPOSDLLFZKGOW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1577-19-1

CID: 15307

Formula: C8H14O2

MW: 142.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.20
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	142.099379685
Monoisotopic Mass	142.099379685
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	116
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
sc-230610	2-Octenoic acid
sc-496668	(E) -3,7-Dimethyl-2-octenoic Acid Ethyl Ester
sc-215618	Octanoic acid
sc-257944	Octanoic-d15 acid
sc-230615	2-Octynoic acid
sc-228877	Octanoic acid-1,2,3,4-13C4
sc-217503	8-Methanethiosulfonyl-octanoic Acid
sc-491052	FTY720 Octanoic Acid Hydrochloride
sc-257943	Octanoic acid-1- (13-C)
sc-347292A	3,3-dicyclopropylpropanoic acid