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7-Oxooctadecanoic Acid Methyl Ester

CAT: 0572-TRC-O870160-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O870160-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2380-22-5
Synonyms
Methyl 7-Ketooctadecanoate; Methyl 7-Oxooctadecanoate;
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
CCCCCCCCCCCC(=O)CCCCCC(=O)OC
Molecular Formula
C19H36O3
Molecular Weight
312.49
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Methyl 7-oxooctadecanoate
CAS Number2380-22-5
PubChem CID537006
IUPAC Namemethyl 7-oxooctadecanoate
Molecular FormulaC19H36O3
Molecular Weight312.5
XLogP6.1
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count17
Heavy Atom Count22
Formal Charge0
Complexity274
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
2D structure of Methyl 7-oxooctadecanoate
CAS: 2380-22-5
CID: 537006
Formula: C19H36O3
MW: 312.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.5
XLogP36.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count17
Exact Mass312.26644501
Monoisotopic Mass312.26644501
Topological Polar Surface Area43.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity274
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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