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(Z) -Oct-4-enedioic acid

CAT: 0127-OR1046355-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1046355-01Size:100 mg
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CAS Number
38561-68-1
Purity
95%
Smiles
O=C(O)CC/C=CCCC(O)=O

Chemical Information

cis-4-Octenedioic acid

Cis-4-Octenedioic acid is a dicarboxylic fatty acid and a monounsaturated fatty acid.

CAS Number38561-68-1
PubChem CID11805205
IUPAC Name(Z)-oct-4-enedioic acid
Molecular FormulaC8H12O4
Molecular Weight172.18
XLogP0.5
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count12
Formal Charge0
Complexity163
SMILES
C(CC(=O)O)/C=C\CCC(=O)O
InChI
InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-2H,3-6H2,(H,9,10)(H,11,12)/b2-1-
InChIKey
LQVYKEXVMZXOAH-UPHRSURJSA-N
Chemical Structure
2D Structure
2D structure of cis-4-Octenedioic acid
CAS: 38561-68-1
CID: 11805205
Formula: C8H12O4
MW: 172.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.18
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass172.07355886
Monoisotopic Mass172.07355886
Topological Polar Surface Area74.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity163
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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