Methyl3-oxooctadecanoate

CAT: 0127-OR1071913-03Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1071913-03Size:1 g

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CAS Number

14531-34-1

MDL Number

MFCD00673475

Purity

95%

Smiles

CCCCCCCCCCCCCCCC(CC(OC)=O)=O

Chemical Information

Methyl 3-oxooctadecanoate

CAS Number	14531-34-1
PubChem CID	84501
IUPAC Name	methyl 3-oxooctadecanoate
Molecular Formula	C19H36O3
Molecular Weight	312.5
XLogP	7.3
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

CCCCCCCCCCCCCCCC(=O)CC(=O)OC

InChI

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

InChIKey

UKKQXJNTICLENY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14531-34-1

CID: 84501

Formula: C19H36O3

MW: 312.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	312.5
XLogP3	7.3
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
OR1071313-01	Methyl10-oxooctadecanoate
OR1056518-01	Methyl 10-oxooctadecanoate
OR1073488-01	Methyl 12-oxooctadecanoate
OR1052947-01	Ethyl 10-oxooctadecanoate
OR1013894-01	Methyl3-Isocyanatobenzoate
OR345329-01	2-Bromo-6-methyl3-nitropyridine
OR1001845-01	Methyl3-amino-3- (4-chlorophenyl) propanoatehydrochloride
OR1034136-01	Methyl3- (tert-butoxycarbonylamino) -5-methoxy-pyridine-2-carboxylate
OR96874-01	(9H-Fluoren-9-yl) methyl3-aminopyrrolidine-1-carboxylatehydrochloride
OR1023689-01	Methyl2-Hydroxy-2-Methyl-3-Oxobutyrate

Catalog	Name
sc-235651A	Methyl 12-oxooctadecanoate
AAA87010-01	Methyl 10-oxooctadecanoate
abx180820-01	Methyl3-(methylamino)propanoate
abx184221	Methyl3,5-dinitrobenzoate
sc-235802	Methyl 5-oxooctadecanoate
HY-W337894-01	Methyl 9-oxooctadecanoate
FM149756	Methyl3-formyl-4-nitrobenzoate
FM153775	Methyl3-iodothiophene-2-carboxylate
abx185501-01	Methyl3-aminopyridazine-4-carboxylate
AR-I01667-01	Methyl3-oxo-2-phenylpropanoate