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trans-3-Nonen-2-one

CAT: 0572-TRC-T714750-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T714750-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18402-83-0
Hazard Statement
Combustible liquid
Purity
>95% (GC)
Smiles
CCCCC\C=C\C(=O)C
Molecular Formula
C9 H16 O
Molecular Weight
140.22
InChI
InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h7-8H,3-6H2,1-2H3/b8-7+
Additionnal Information
IUPAC name: (E)-non-3-en-2-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Nonen-2-one

(3E)-3-nonen-2-one is an enone that is (E)-3-nonene in which the two methylene hydrogens at position 2 have been replaced by an oxo group. It has a role as a fumigant and an EC 2.5.1.18 (glutathione transferase) inhibitor.

CAS Number18402-83-0
PubChem CID5317045
IUPAC Name(E)-non-3-en-2-one
Molecular FormulaC9H16O
Molecular Weight140.22
XLogP2.8
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count10
Formal Charge0
Complexity114
SMILES
CCCCC/C=C/C(=O)C
InChI
InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h7-8H,3-6H2,1-2H3/b8-7+
InChIKey
HDKLIZDXVUCLHQ-BQYQJAHWSA-N
Chemical Structure
2D Structure
2D structure of 3-Nonen-2-one
CAS: 18402-83-0
CID: 5317045
Formula: C9H16O
MW: 140.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.22
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass140.120115130
Monoisotopic Mass140.120115130
Topological Polar Surface Area17.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity114
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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