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trans-4-Hydroxycrotonic acid

CAT: 0607-B6341-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B6341-50Size:50 mg
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Description
ligand of γ-hydroxybutyric acid (GHB) receptor
CAS Number
24587-49-3
Product Name Alternative
(E)-4-hydroxybut-2-enoic acid
Field of Research
Membrane Transporter Ion Channel GABA Receptor
Purity
0.98
Form
Light yellow crystalline solid
Solubility
<10.21mg/ml in DMSO
Smiles
OC/C=C/C(O)=O
Molecular Formula
C4H6O3
Molecular Weight
102.09
Shipping Conditions
Blue ice
Storage Conditions
Store at 4°C.

Chemical Information

trans-4-Hydroxycrotonic acid

4-hydroxy-crotonic acid is a hydroxy fatty acid.

CAS Number24587-49-3
PubChem CID6155526
IUPAC Name(E)-4-hydroxybut-2-enoic acid
Molecular FormulaC4H6O3
Molecular Weight102.09
XLogP-0.6
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity84
SMILES
C(/C=C/C(=O)O)O
InChI
InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h1-2,5H,3H2,(H,6,7)/b2-1+
InChIKey
RMQJECWPWQIIPW-OWOJBTEDSA-N
Chemical Structure
2D Structure
2D structure of trans-4-Hydroxycrotonic acid
CAS: 24587-49-3
CID: 6155526
Formula: C4H6O3
MW: 102.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight102.09
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass102.031694049
Monoisotopic Mass102.031694049
Topological Polar Surface Area57.5 Ų
Heavy Atom Count7
Formal Charge0
Complexity84.9
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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