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2-Nonadecanone

CAT: 0127-OR1046222-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1046222-02Size:250 mg
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CAS Number
629-66-3
MDL Number
MFCD00026671
Purity
95%
Smiles
CC(CCCCCCCCCCCCCCCCC)=O

Chemical Information

2-Nonadecanone

2-Nonadecanone is a ketone.

CAS Number629-66-3
PubChem CID69423
IUPAC Namenonadecan-2-one
Molecular FormulaC19H38O
Molecular Weight282.5
XLogP8.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count16
Heavy Atom Count20
Formal Charge0
Complexity198
SMILES
CCCCCCCCCCCCCCCCCC(=O)C
InChI
InChI=1S/C19H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h3-18H2,1-2H3
InChIKey
IEDKVDCIEARIIU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Nonadecanone
CAS: 629-66-3
CID: 69423
Formula: C19H38O
MW: 282.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.5
XLogP38.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count16
Exact Mass282.292265831
Monoisotopic Mass282.292265831
Topological Polar Surface Area17.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity198
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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