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1-Nonanol

CAT: 0127-OR70191-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR70191-01Size:25 g
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CAS Number
143-08-8
MDL Number
MFCD00002990
Purity
99%
Smiles
CCCCCCCCCO

Chemical Information

1-Nonanol

Nonan-1-ol is a nonanol that is nonane substituted by a hydroxy group at position 1. It has been isolated as a component of volatile oils from plants like Hordeum vulgare. It has a role as a volatile oil component, a flavouring agent, an antifungal agent and a plant metabolite. It is a primary alcohol and a nonanol.

CAS Number143-08-8
PubChem CID8914
IUPAC Namenonan-1-ol
Molecular FormulaC9H20O
Molecular Weight144.25
XLogP4.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Heavy Atom Count10
Formal Charge0
Complexity52
SMILES
CCCCCCCCCO
InChI
InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3
InChIKey
ZWRUINPWMLAQRD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Nonanol
CAS: 143-08-8
CID: 8914
Formula: C9H20O
MW: 144.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight144.25
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Exact Mass144.151415257
Monoisotopic Mass144.151415257
Topological Polar Surface Area20.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity52.7
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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