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CAY10669

CAT: 0013-GTR19191823-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191823-02Size:5 mg
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Description
CAY10669
CAS Number
1243583-88-1
Field of Research
Epigenetics & Chromatin
Smiles
C (O) (=O) C1=C (/C=C\C2=CC=C (OCCCCC) C=C2) C=CC=C1O
Molecular Formula
C20H22O4
Molecular Weight
326.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(Z)-2-Hydroxy-6-(4-(pentyloxy)styryl)benzoic acid
CAS Number1243583-88-1
PubChem CID46927927
IUPAC Name2-hydroxy-6-[(Z)-2-(4-pentoxyphenyl)ethenyl]benzoic acid
Molecular FormulaC20H22O4
Molecular Weight326.4
XLogP5.7
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count24
Formal Charge0
Complexity398
SMILES
CCCCCOC1=CC=C(C=C1)/C=C\C2=C(C(=CC=C2)O)C(=O)O
InChI
InChI=1S/C20H22O4/c1-2-3-4-14-24-17-12-9-15(10-13-17)8-11-16-6-5-7-18(21)19(16)20(22)23/h5-13,21H,2-4,14H2,1H3,(H,22,23)/b11-8-
InChIKey
JZTUSBQKQHUSQE-FLIBITNWSA-N
Chemical Structure
2D Structure
2D structure of (Z)-2-Hydroxy-6-(4-(pentyloxy)styryl)benzoic acid
CAS: 1243583-88-1
CID: 46927927
Formula: C20H22O4
MW: 326.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.4
XLogP35.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass326.15180918
Monoisotopic Mass326.15180918
Topological Polar Surface Area66.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity398
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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