9-Undecynoic Acid Methyl Ester

CAT: 0024-sc-475681Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-475681Size:50 mg

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CAS Number

18937-76-3

Chemical Information

9-Undecynoic acid methyl ester

CAS Number	18937-76-3
PubChem CID	13355478
IUPAC Name	methyl undec-9-ynoate
Molecular Formula	C12H20O2
Molecular Weight	196.29
XLogP	3.7
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Heavy Atom Count	14
Formal Charge	0
Complexity	207

SMILES

CC#CCCCCCCCC(=O)OC

InChI

InChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h5-11H2,1-2H3

InChIKey

SGRHKSZKHOFXIK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18937-76-3

CID: 13355478

Formula: C12H20O2

MW: 196.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.29
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	196.146329876
Monoisotopic Mass	196.146329876
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	207
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-475679	9-Undecynoic Acid Ethyl Ester
sc-474041	9-Undecynoic Acid Ethyl Ester-d5
sc-227147	9-Undecynoic acid
sc-223142	10-Undecynoic acid
sc-223142A	10-Undecynoic acid
sc-217526	9-cis Retinoic Acid Methyl Ester
sc-475677	10-Undecenoic Acid Methyl-d3 Ester
sc-497143	Cis-9,10-Epoxystearic Acid Methyl Ester
sc-497147	(±) -trans-9,10-Epoxystearic Acid Methyl Ester
sc-210097	4-Keto 9-cis Retinoic Acid Methyl Ester

Catalog	Name
440485-01	9-Undecynoic Acid Methyl Ester
440486-01	9-Undecynoic Acid Methyl Ester-d3
440483-01	9-Undecynoic Acid Ethyl Ester
440484-01	9-Undecynoic Acid Ethyl Ester-d5
HY-Y1824-01	N-9-Fluorenylmethoxycarbonylaspartic acid β-methyl ester
TRC-M293315-250MG	Methyl Fluorene-9-carboxylic Acid Ester
TRC-R245010-2.5MG	9-cis-Retinoic Acid Methyl Ester
MBS6119779-01	9-cis Retinoic Acid Methyl Ester
OR1032139-01	N-9-Fluorenylmethoxycarbonylaspartic acid ß-methyl ester
MBS6085847-01	8-Methoxycarbonyloctanol (9-Hydroxypelargonic acid, Methyl Ester)