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3-Butenoic acid

CAT: 0931-T40715-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T40715-01Size:100 mg
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CAS Number
625-38-7
Target
Others
Related Pathways
Others
Bioactivity
3-Butenoic acid, also known as Vinylacetic acid, is utilized in the synthesis of 3,6-dihydro-1,2-oxazine that possesses a bicyclic structure. This strained bicyclic compound, when combined with an external alkene, acts as a reactive substrate in domino metathesis reactions.
Smiles
OC(=O)CC=C
Molecular Formula
C4H6O2
Molecular Weight
86.09
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-Butenoic acid

But-3-enoic acid is that isomer of butenoic acid having the double bond at position C-3. It is a conjugate acid of a but-3-enoate.

CAS Number625-38-7
PubChem CID32743
IUPAC Namebut-3-enoic acid
Molecular FormulaC4H6O2
Molecular Weight86.09
XLogP0.5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity65
SMILES
C=CCC(=O)O
InChI
InChI=1S/C4H6O2/c1-2-3-4(5)6/h2H,1,3H2,(H,5,6)
InChIKey
PVEOYINWKBTPIZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Butenoic acid
CAS: 625-38-7
CID: 32743
Formula: C4H6O2
MW: 86.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight86.09
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass86.036779430
Monoisotopic Mass86.036779430
Topological Polar Surface Area37.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity65.9
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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CatalogName
sc-2564873-Butenoic acid
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P099514-Phenyl-3-butenoic acid
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sc-4984762,2-Dimethyl-3-butenoic Acid
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OR77211-01(2Z) -3-Chloro-2-butenoic acid
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