3-Nonenoic Acid

CAT: 0024-sc-289221Size: 5 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-289221Size:5 mL

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CAS Number

4124-88-3

Chemical Information

3-Nonenoic acid

3-Nonenoic acid has been reported in Nicotiana tabacum and Fragaria with data available.

CAS Number	4124-88-3
PubChem CID	107507
IUPAC Name	non-3-enoic acid
Molecular Formula	C9H16O2
Molecular Weight	156.22
XLogP	2.8
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	11
Formal Charge	0
Complexity	128

SMILES

CCCCCC=CCC(=O)O

InChI

InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h6-7H,2-5,8H2,1H3,(H,10,11)

InChIKey

ZBPYTVBKHKUNHG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4124-88-3

CID: 107507

Formula: C9H16O2

MW: 156.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.22
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	156.115029749
Monoisotopic Mass	156.115029749
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	128
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-272632	Trans-2-Nonenoic acid
sc-495676	(Z) -3-Hydroxy-6-nonenoic Acid
sc-495677	(E) -3-Hydroxy-4-nonenoic Acid
sc-210575	(6E) -8-Methyl-6-nonenoic Acid
sc-394344	(6Z) -8-Methyl-6-nonenoic Acid
sc-484043	(6Z) -8-Methyl-6-nonenoic Acid Ethyl Ester
sc-484057	(6E) -8-Methyl-6-nonenoic Acid Ethyl Ester
sc-484063	(6E) -8-Methyl-6-nonenoic Acid Methyl Ester
sc-484036	(6Z) -8-Methyl-6-nonenoic Acid Methyl Ester
sc-484302	(6E) -8-Methyl--6-nonenoic Acid Methyl Ester-d3