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3,4-Dihydroxydecanoic Acid

CAT: 0572-TRC-D452435-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D452435-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
158088-76-7
Synonyms
3,4-Dihydroxydecanoic acid
Hazard Statement
No Data Available
Smiles
OC(CC(O)=O)C(O)CCCCCC
Molecular Formula
C10H20O4
Molecular Weight
204.26
InChI
InChI=1S/C10H20O4/c1-2-3-4-5-6-8(11)9(12)7-10(13)14/h8-9,11-12H,2-7H2,1H3,(H,13,14)
Additionnal Information
IUPAC name: 3,4-dihydroxydecanoic acid
Shipping Conditions
Room Temperature

Chemical Information

3,4-Dihydroxydecanoic acid
CAS Number158088-76-7
PubChem CID86177598
IUPAC Name3,4-dihydroxydecanoic acid
Molecular FormulaC10H20O4
Molecular Weight204.26
XLogP1.4
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count14
Formal Charge0
Complexity158
SMILES
CCCCCCC(C(CC(=O)O)O)O
InChI
InChI=1S/C10H20O4/c1-2-3-4-5-6-8(11)9(12)7-10(13)14/h8-9,11-12H,2-7H2,1H3,(H,13,14)
InChIKey
KUPMSOPADLDCMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dihydroxydecanoic acid
CAS: 158088-76-7
CID: 86177598
Formula: C10H20O4
MW: 204.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.26
XLogP31.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass204.13615911
Monoisotopic Mass204.13615911
Topological Polar Surface Area77.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity158
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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