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rac-3-Hydroxypentadecanoic Acid

CAT: 0572-TRC-H943130-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H943130-250MGSize:250 mg
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CAS Number
32602-70-3
Synonyms
rac-3-Hydroxypentadecanoic Acid
Hazard Statement
No Data Available
Smiles
CCCCCCCCCCCCC(O)CC(=O)O
Molecular Formula
C15 H30 O3
Molecular Weight
258.397
InChI
InChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18/h14,16H,2-13H2,1H3,(H,17,18)
Additionnal Information
IUPAC name: 3-hydroxypentadecanoic acid
Shipping Conditions
Room Temperature

Chemical Information

3-Hydroxypentadecanoic acid

3-hydroxy-pentadecanoic acid is a long-chain fatty acid.

CAS Number32602-70-3
PubChem CID182089
IUPAC Name3-hydroxypentadecanoic acid
Molecular FormulaC15H30O3
Molecular Weight258.40
XLogP5.2
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count13
Heavy Atom Count18
Formal Charge0
Complexity192
SMILES
CCCCCCCCCCCCC(CC(=O)O)O
InChI
InChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18/h14,16H,2-13H2,1H3,(H,17,18)
InChIKey
ATMSEJBABXCWDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxypentadecanoic acid
CAS: 32602-70-3
CID: 182089
Formula: C15H30O3
MW: 258.40
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight258.40
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count13
Exact Mass258.21949481
Monoisotopic Mass258.21949481
Topological Polar Surface Area57.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity192
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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