(Z) -4-Octenoic acid

CAT: 0926-TAA65481-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-TAA65481-01Size:25 mg

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CAS Number

18654-81-4

MDL Number

MFCD20617118

Smiles

CCCC=CCCC (=O) O

Molecular Formula

C8H14O2

Molecular Weight

142.2 g/mol

Controlled

Chemical Information

(4Z)-4-Octenoic acid

Cis-gamma-octenoic acid is a medium-chain fatty acid.

CAS Number	18654-81-4
PubChem CID	5282717
IUPAC Name	(Z)-oct-4-enoic acid
Molecular Formula	C8H14O2
Molecular Weight	142.20
XLogP	2
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

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

InChI

InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h4-5H,2-3,6-7H2,1H3,(H,9,10)/b5-4-

InChIKey

PFHBCQFBHMBAMC-PLNGDYQASA-N

Chemical Structure

2D Structure

CAS: 18654-81-4

CID: 5282717

Formula: C8H14O2

MW: 142.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.20
XLogP3	2
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	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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