Methyl Nonanoate

CAT: 0127-OR1013870-01Size: 5 mLDry Ice: NoHazardous: No

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CAT#:0127-OR1013870-01Size:5 mL

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CAS Number

1731-84-6

MDL Number

MFCD00009569

Purity

97%

Smiles

CCCCCCCCC(=O)OC

Chemical Information

Methyl nonanoate

Methyl nonanoate is a fatty acid methyl ester obtained from the formal condensation of methanol and nonanoic acid; a colourless liquid with a fruity odour, used in perfumes and flavours, and for medical research. It has a role as an antinematodal drug, an antifungal agent, a fragrance, an epitope and a plant metabolite. It is functionally related to a methanol and a nonanoic acid.

CAS Number	1731-84-6
PubChem CID	15606
IUPAC Name	methyl nonanoate
Molecular Formula	C10H20O2
Molecular Weight	172.26
XLogP	4.1
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Heavy Atom Count	12
Formal Charge	0
Complexity	110

SMILES

CCCCCCCCC(=O)OC

InChI

InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3

InChIKey

IJXHLVMUNBOGRR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1731-84-6

CID: 15606

Formula: C10H20O2

MW: 172.26

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	172.26
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	172.146329876
Monoisotopic Mass	172.146329876
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	110
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

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Catalog	Name
TN6918	Methyl Nonanoate
HY-W015308R	Methyl nonanoate (Standard)
TRC-M589583-100MG	Methyl 9-(3-Methyl-5-pentylfuran-2-yl)nonanoate
TRC-M589753-100MG	Methyl 9-Hydroxy-9-(3-methyl-5-pentylfuran-2-yl)nonanoate
MBS5796528	methyl 9-[5,7-dimethoxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-2-yl]nonanoate
GTR19202720	Ethyl nonanoate
IH174842-01	Haloperidol nonanoate
GX2960-5g	Rhodium nonanoate
24817-50	Cholesteryl Nonanoate
T125833-01	Tropine nonanoate

Methyl Nonanoate

Chemical Information

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