Products for Research Use Only
RegisterLogin

Diallylacetic acid (Standard)

CAT: 0804-HY-W020188RSize: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-W020188RSize:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Diallylacetic acid (Standard) is the analytical standard of Diallylacetic acid. This product is intended for research and analytical applications.
CAS Number
99-67-2
UNSPSC
12352211
Target
Reference Standards
Related Pathways
Others
Smiles
C=CCC(CC=C)C(O)=O
Molecular Formula
C8H12O2
Molecular Weight
140.18
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Diallylacetic acid
CAS Number99-67-2
PubChem CID12610509
IUPAC Name2-prop-2-enylpent-4-enoic acid
Molecular FormulaC8H12O2
Molecular Weight140.18
XLogP2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count10
Formal Charge0
Complexity128
SMILES
C=CCC(CC=C)C(=O)O
InChI
InChI=1S/C8H12O2/c1-3-5-7(6-4-2)8(9)10/h3-4,7H,1-2,5-6H2,(H,9,10)
InChIKey
OKJQSUPURXTNME-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diallylacetic acid
CAS: 99-67-2
CID: 12610509
Formula: C8H12O2
MW: 140.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.18
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass140.083729621
Monoisotopic Mass140.083729621
Topological Polar Surface Area37.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity128
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

Related Products

CatalogName
HY-W127566RHeptacosanoic acid (Standard)
HY-W017158R-01Melilotic acid (Standard)
HY-W005178R-01Octadecanedioic acid (Standard)
HY-N7078RSpiculisporic acid (Standard)
HY-N4096RTsugaric acid A (Standard)
HY-N1984RArtemisic acid (Standard)
HY-N0384R-01Homovanillic acid (Standard)
HY-I0736R-01Isonicotinic acid (Standard)
HY-B2227R-01Lactic acid (Standard)
HY-B0172AR-01Isoallolithocholic acid (Standard)

Alternative Products

CatalogName
163737Diallylacetic Acid
TRC-D416005-1GDiallylacetic Acid Methyl Ester
446549-01Diallylacetic Acid Ethyl Ester
446552-01Diallylacetic Acid Methyl-d3 Ester
TRC-D415997-25MGDiallylacetic Acid Ethyl-d5 Ester
ST-08004-02Ascorbic Acid Standard + Gallic Acid Standard + TROLOX Standard + BRS Electrolyte
ST-80004-01Ascorbic Acid Standard + Gallic Acid Standard + TROLOX Standard for biological samples
DAGS042Acetylsalicylic acid standard
CLPS-SAAcid Surrogate Standard
D94708VUric Acid Standard

Popular Products