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3-Methyl-4-nonanone

CAT: 0127-OR1055912Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1055912Size:100 mg
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CAS Number
35778-39-3
MDL Number
MFCD00027283
Purity
97%
Smiles
CCC(C)C(CCCCC)=O

Chemical Information

3-Methyl-4-nonanone
CAS Number35778-39-3
PubChem CID142028
IUPAC Name3-methylnonan-4-one
Molecular FormulaC10H20O
Molecular Weight156.26
XLogP3.3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count11
Formal Charge0
Complexity107
SMILES
CCCCCC(=O)C(C)CC
InChI
InChI=1S/C10H20O/c1-4-6-7-8-10(11)9(3)5-2/h9H,4-8H2,1-3H3
InChIKey
SAXOGZBJENMQMR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methyl-4-nonanone
CAS: 35778-39-3
CID: 142028
Formula: C10H20O
MW: 156.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.26
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass156.151415257
Monoisotopic Mass156.151415257
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity107
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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