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3-Methylnonane

CAT: 1596-AR-N08923-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-N08923-01Size:10 Units
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CAS Number
5911-04-6
Molecular Formula
C10H22
Molecular Weight
142.29
API Name
Nonanedione

Chemical Information

3-Methylnonane

(RS)-3-methylnonane has been reported in Angelica gigas and Hypericum perforatum with data available.

CAS Number5911-04-6
PubChem CID22202
IUPAC Name3-methylnonane
Molecular FormulaC10H22
Molecular Weight142.28
XLogP5.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count6
Heavy Atom Count10
Formal Charge0
Complexity57
SMILES
CCCCCCC(C)CC
InChI
InChI=1S/C10H22/c1-4-6-7-8-9-10(3)5-2/h10H,4-9H2,1-3H3
InChIKey
PLZDDPSCZHRBOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methylnonane
CAS: 5911-04-6
CID: 22202
Formula: C10H22
MW: 142.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight142.28
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count6
Exact Mass142.172150702
Monoisotopic Mass142.172150702
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity57.1
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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