Methyl non-2-ynoate

CAT: 0127-OR28689-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR28689-01Size:5 g

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CAS Number

111-80-8

MDL Number

MFCD00009547

Purity

98%

Smiles

CCCCCCC#CC(=O)OC

Chemical Information

Methyl 2-nonynoate

Methyl non-2-ynoate is a ynoate ester.

CAS Number	111-80-8
PubChem CID	8137
IUPAC Name	methyl non-2-ynoate
Molecular Formula	C10H16O2
Molecular Weight	168.23
XLogP	3.7
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	12
Formal Charge	0
Complexity	183

SMILES

CCCCCCC#CC(=O)OC

InChI

InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-7H2,1-2H3

InChIKey

NTLJTUMJJWVCTL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 111-80-8

CID: 8137

Formula: C10H16O2

MW: 168.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.23
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	168.115029749
Monoisotopic Mass	168.115029749
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	183
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

Catalog	Name
OR89638-01	Methyl but-2-ynoate
OR0649-01	Methyl prop-2-ynoate
OR1025389-01	Methyl But-3-Ynoate
OR72176-01	Methyl 2,2-dimethylbut-3-ynoate
OR96290-01	Methyl hex-5-ynoate
OR1042157-01	Methyl 2-aminopent-4-ynoate hydrochloride
OR956016-01	Methyl (2R) -2-aminopent-4-ynoate
OR1071451-01	Methyl hept-6-ynoate
OR55646-01	Methyl pent-4-ynoate
OR14510-01	Ethyl but-2-ynoate

Catalog	Name
TRC-M294963-500MG	Methyl But-3-ynoate
BEA41311-01	Methyl 2-acetylpent-4-ynoate
SBA99800-01	Methyl 2-ethylpent-4-ynoate
GJC50900-01	Methyl 2-methylpent-4-ynoate
KBA08734-01	Methyl 5-methylhex-2-ynoate
LDA10149-01	Methyl 2,2-dimethylpent-4-ynoate
DXC60032-01	Methyl 4-aminobut-2-ynoate hydrochloride
DHA38941-01	Methyl 2-aminopent-4-ynoate hydrochloride
MAC41479-01	Methyl 2-amino-2- (trifluoromethyl) but-3-ynoate
HTB73709-01	Methyl 2-hydroxy-2-methylbut-3-ynoate