10-Undecynoic acid

CAT: 0024-sc-223142ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-223142ASize:5 g

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CAS Number

2777-65-3

Chemical Information

10-Undecynoic acid

10-undecynoic acid is a medium-chain fatty acid.

CAS Number	2777-65-3
PubChem CID	31039
IUPAC Name	undec-10-ynoic acid
Molecular Formula	C11H18O2
Molecular Weight	182.26
XLogP	3.3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Heavy Atom Count	13
Formal Charge	0
Complexity	176

SMILES

C#CCCCCCCCCC(=O)O

InChI

InChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h1H,3-10H2,(H,12,13)

InChIKey

OAOUTNMJEFWJPO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2777-65-3

CID: 31039

Formula: C11H18O2

MW: 182.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.26
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	182.130679813
Monoisotopic Mass	182.130679813
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	176
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
sc-227147	9-Undecynoic acid
sc-475681	9-Undecynoic Acid Methyl Ester
sc-475679	9-Undecynoic Acid Ethyl Ester
sc-475246	9-Undecynoic Acid Methyl Ester-d3
sc-213573	10-Undecenoic acid
sc-213573A	10-Undecenoic acid
sc-474041	9-Undecynoic Acid Ethyl Ester-d5
sc-475647	10-Undecenoic Acid Ethyl-d5 Ester
sc-475677	10-Undecenoic Acid Methyl-d3 Ester
sc-499947	Decanoic-10,10,10-d3 Acid

Catalog	Name
TRC-U789030-100MG	10-Undecynoic Acid
291833-01	9-Undecynoic acid
440485-01	9-Undecynoic Acid Methyl Ester
440483-01	9-Undecynoic Acid Ethyl Ester
440486-01	9-Undecynoic Acid Methyl Ester-d3
440484-01	9-Undecynoic Acid Ethyl Ester-d5
TRC-D454340-100MG	11-[2,3-Dihydro-2-[[2-(3-pyridinyl)-4-quinazolinyl]amino]-1H-inden-5-yl]-10-undecynoic acid
PC106513	10,10,10-Trifluorodecanoic acid
MBS393763-01	Decanoic-10,10,10-D3 Acid
HY-W108237	10- (Benzyloxy) -10-oxodecanoic acid