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7-Ethyl-1-nonanol

CAT: 0572-TRC-E927978-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E927978-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2429-97-2
Hazard Statement
No Data Available
Smiles
CCC(CC)CCCCCCO
Molecular Formula
C11 H24 O
Molecular Weight
172.308
InChI
InChI=1S/C11H24O/c1-3-11(4-2)9-7-5-6-8-10-12/h11-12H,3-10H2,1-2H3
Additionnal Information
IUPAC name: 7-ethylnonan-1-ol
Shipping Conditions
Room Temperature

Chemical Information

7-Ethyl-1-nonanol
CAS Number2429-97-2
PubChem CID22492541
IUPAC Name7-ethylnonan-1-ol
Molecular FormulaC11H24O
Molecular Weight172.31
XLogP4.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count8
Heavy Atom Count12
Formal Charge0
Complexity77
SMILES
CCC(CC)CCCCCCO
InChI
InChI=1S/C11H24O/c1-3-11(4-2)9-7-5-6-8-10-12/h11-12H,3-10H2,1-2H3
InChIKey
JNZFLHPHQULXRX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Ethyl-1-nonanol
CAS: 2429-97-2
CID: 22492541
Formula: C11H24O
MW: 172.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.31
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count8
Exact Mass172.182715385
Monoisotopic Mass172.182715385
Topological Polar Surface Area20.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity77.1
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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