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Crotonic Acid pure, 99%

CAT: 0565-60837-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0565-60837-01Size:100 g
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Description
Part B
CAS Number
107-93-7
UN Code
UN No.: 2823, IMCO Class No.: 8, Packing Group: III
Storage Temperature
Room Temperature

Chemical Information

Crotonic Acid

Crotonic acid is a but-2-enoic acid with a trans- double bond at C-2. It has been isolated from Daucus carota. It has a role as a plant metabolite. It is a conjugate acid of a crotonate.

CAS Number107-93-7
PubChem CID637090
IUPAC Name(E)-but-2-enoic acid
Molecular FormulaC4H6O2
Molecular Weight86.09
XLogP0.7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity73
SMILES
C/C=C/C(=O)O
InChI
InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
InChIKey
LDHQCZJRKDOVOX-NSCUHMNNSA-N
Chemical Structure
2D Structure
2D structure of Crotonic Acid
CAS: 107-93-7
CID: 637090
Formula: C4H6O2
MW: 86.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight86.09
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass86.036779430
Monoisotopic Mass86.036779430
Topological Polar Surface Area37.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity73.6
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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