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8-Oxononanoic Acid

CAT: 0572-TRC-O991465-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-O991465-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
25542-64-7
Hazard Statement
No Data Available
Smiles
CC(=O)CCCCCCC(=O)O
Molecular Formula
C9 H16 O3
Molecular Weight
172.221
InChI
InChI=1S/C9H16O3/c1-8(10)6-4-2-3-5-7-9(11)12/h2-7H2,1H3,(H,11,12)
Additionnal Information
IUPAC name: 8-oxononanoic acid
Shipping Conditions
Room Temperature

Chemical Information

8-Oxo-nonanoic acid

8-oxo-nonanoic acid is an oxo carboxylic acid.

CAS Number25542-64-7
PubChem CID5312941
IUPAC Name8-oxononanoic acid
Molecular FormulaC9H16O3
Molecular Weight172.22
XLogP1.2
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count12
Formal Charge0
Complexity152
SMILES
CC(=O)CCCCCCC(=O)O
InChI
InChI=1S/C9H16O3/c1-8(10)6-4-2-3-5-7-9(11)12/h2-7H2,1H3,(H,11,12)
InChIKey
KNPGTJGXMGNBAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Oxo-nonanoic acid
CAS: 25542-64-7
CID: 5312941
Formula: C9H16O3
MW: 172.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.22
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass172.109944368
Monoisotopic Mass172.109944368
Topological Polar Surface Area54.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity152
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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