7-Oxooctadecanoic Acid Methyl Ester

CAT: 0024-sc-478991Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-478991Size:100 mg

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CAS Number

2380-22-5

Chemical Information

Methyl 7-oxooctadecanoate

CAS Number	2380-22-5
PubChem CID	537006
IUPAC Name	methyl 7-oxooctadecanoate
Molecular Formula	C19H36O3
Molecular Weight	312.5
XLogP	6.1
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	17
Heavy Atom Count	22
Formal Charge	0
Complexity	274

SMILES

CCCCCCCCCCCC(=O)CCCCCC(=O)OC

InChI

InChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-12-15-18(20)16-13-11-14-17-19(21)22-2/h3-17H2,1-2H3

InChIKey

QTHPCXRUUSTYCU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2380-22-5

CID: 537006

Formula: C19H36O3

MW: 312.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	312.5
XLogP3	6.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	17
Exact Mass	312.26644501
Monoisotopic Mass	312.26644501
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	274
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-205251A	Cis-7-Hexadecenoic Acid methyl ester
sc-279214	Indole-7-carboxylic acid methyl ester
sc-337295	7-Aminoheptanoic Acid Methyl Ester Hydrochloride
sc-496925	5,7-Docosadiynoic Acid Methyl Ester
sc-205251	Cis-7-Hexadecenoic Acid methyl ester
sc-496926	5,7-Docosadiynoic Acid Methyl Ester-d3
sc-503315	Benz[a]anthracene-7-acetic Acid Methyl Ester
sc-490819	7-Hydroxy-5-heptynoic Acid Methyl Ester
sc-480197	7-O-Acetyl Ursodeoxycholic Acid Methyl Ester
sc-218724	Methyl β-Neuraminic Acid, Methyl Ester

Catalog	Name
TRC-O870160-50MG	7-Oxooctadecanoic Acid Methyl Ester
OR315143-01	7-Oxoheptanoic acid methyl ester
439517	7-Bromoheptanoic Acid-d4 Methyl Ester
TRC-D525345-100MG	5,7-Docosadiynoic Acid Methyl Ester
280977-01	7-Indazole carboxylic acid methyl ester
I-2530-01	Indole-7-carboxylic acid methyl ester
KAA53866-01	7,12 Diketolithocholic acid methyl ester
A609920	7-Aminoheptanoic Acid Methyl Ester Hydrochloride
003221	Benz[a]anthracene-7-acetic Acid Methyl Ester
162310	7-O-Acetyl Ursodeoxycholic Acid Methyl Ester