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2-Decyldodecanoic Acid

CAT: 0572-TRC-D227100-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D227100-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2874-72-8
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
CCCCCCCCCCC(CCCCCCCCCC)C(=O)O
Molecular Formula
C22 H44 O2
Molecular Weight
340.584
InChI
InChI=1S/C22H44O2/c1-3-5-7-9-11-13-15-17-19-21(22(23)24)20-18-16-14-12-10-8-6-4-2/h21H,3-20H2,1-2H3,(H,23,24)
Additionnal Information
IUPAC name: 2-decyldodecanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-decyldodecanoic Acid
CAS Number2874-72-8
PubChem CID11724846
IUPAC Name2-decyldodecanoic acid
Molecular FormulaC22H44O2
Molecular Weight340.6
XLogP9.7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count19
Heavy Atom Count24
Formal Charge0
Complexity243
SMILES
CCCCCCCCCCC(CCCCCCCCCC)C(=O)O
InChI
InChI=1S/C22H44O2/c1-3-5-7-9-11-13-15-17-19-21(22(23)24)20-18-16-14-12-10-8-6-4-2/h21H,3-20H2,1-2H3,(H,23,24)
InChIKey
QSRHBXMVAHNFKV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-decyldodecanoic Acid
CAS: 2874-72-8
CID: 11724846
Formula: C22H44O2
MW: 340.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.6
XLogP39.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count19
Exact Mass340.334130642
Monoisotopic Mass340.334130642
Topological Polar Surface Area37.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity243
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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