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6-(4-Hydroxyphenyl)hexanoic Acid

CAT: 0572-TRC-H949275-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H949275-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6952-35-8
Hazard Statement
No Data Available
Smiles
OC(=O)CCCCCc1ccc(O)cc1
Molecular Formula
C12 H16 O3
Molecular Weight
208.25
InChI
InChI=1S/C12H16O3/c13-11-8-6-10(7-9-11)4-2-1-3-5-12(14)15/h6-9,13H,1-5H2,(H,14,15)
Additionnal Information
IUPAC name: 6-(4-hydroxyphenyl)hexanoic acid
Shipping Conditions
Room Temperature

Chemical Information

6-(4-Hydroxyphenyl)hexanoic acid
CAS Number6952-35-8
PubChem CID247362
IUPAC Name6-(4-hydroxyphenyl)hexanoic acid
Molecular FormulaC12H16O3
Molecular Weight208.25
XLogP2.9
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count15
Formal Charge0
Complexity183
SMILES
C1=CC(=CC=C1CCCCCC(=O)O)O
InChI
InChI=1S/C12H16O3/c13-11-8-6-10(7-9-11)4-2-1-3-5-12(14)15/h6-9,13H,1-5H2,(H,14,15)
InChIKey
DQTMUMLMQOJHCI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(4-Hydroxyphenyl)hexanoic acid
CAS: 6952-35-8
CID: 247362
Formula: C12H16O3
MW: 208.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.25
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass208.109944368
Monoisotopic Mass208.109944368
Topological Polar Surface Area57.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity183
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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