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10-Pentacosanone

CAT: 0572-TRC-P789345-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P789345-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
31469-37-1
Synonyms
10-Pentacosanone
Hazard Statement
No Data Available
Purity
>95% (GC)
Smiles
CCCCCCCCCCCCCCCC(=O)CCCCCCCCC
Molecular Formula
C25H50O
Molecular Weight
366.66
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

10-Pentacosanone
CAS Number31469-37-1
PubChem CID129776318
IUPAC Namepentacosan-10-one
Molecular FormulaC25H50O
Molecular Weight366.7
XLogP11.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count22
Heavy Atom Count26
Formal Charge0
Complexity271
SMILES
CCCCCCCCCCCCCCCC(=O)CCCCCCCCC
InChI
InChI=1S/C25H50O/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-24-25(26)23-21-19-17-10-8-6-4-2/h3-24H2,1-2H3
InChIKey
NSHORHTXEVNSCG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 10-Pentacosanone
CAS: 31469-37-1
CID: 129776318
Formula: C25H50O
MW: 366.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.7
XLogP311.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count22
Exact Mass366.386166214
Monoisotopic Mass366.386166214
Topological Polar Surface Area17.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity271
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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