Nonanoic acid

CAT: 0024-sc-215581BSize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-215581BSize:5 g

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CAS Number

112-05-0

Chemical Information

Nonanoic Acid

Nonanoic acid is a C9 straight-chain saturated fatty acid which occurs naturally as esters of the oil of pelargonium. Has antifungal properties, and is also used as a herbicide as well as in the preparation of plasticisers and lacquers. It has a role as an antifeedant, a plant metabolite, a Daphnia magna metabolite and an algal metabolite. It is a straight-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of a nonanoate. It derives from a hydride of a nonane.

CAS Number	112-05-0
PubChem CID	8158
IUPAC Name	nonanoic acid
Molecular Formula	C9H18O2
Molecular Weight	158.24
XLogP	3.5
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Heavy Atom Count	11
Formal Charge	0
Complexity	99

SMILES

CCCCCCCCC(=O)O

InChI

InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)

InChIKey

FBUKVWPVBMHYJY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 112-05-0

CID: 8158

Formula: C9H18O2

MW: 158.24

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	158.24
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	158.130679813
Monoisotopic Mass	158.130679813
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	99.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
sc-229691	γ-Nonanoic lactone
sc-215582	Nonanoic anhydride
sc-289221	3-Nonenoic Acid
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

Alternative Products

Catalog	Name
FN34493-01	Nonanoic acid
464070	Hexadecafluoro-nonanoic acid
DE2111	Nonanoic acid-D17
HY-N7057S2-01	Nonanoic acid-d4
TRC-N649385-25G	n-Nonanoic Acid
HY-N7057S3-01	Nonanoic acid-d2
HY-N7057S1-01	Nonanoic acid-d3
HY-N7057R-01	Nonanoic acid (Standard)

Nonanoic acid

Chemical Information

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