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Hexa-4,5-dienoic acid

CAT: 0926-XCA03867Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-XCA03867Size:50 mg
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CAS Number
72038-67-6
MDL Number
MFCD07357435
Smiles
C=C=CCCC (=O) O
Molecular Formula
C6H8O2
Molecular Weight
112.13 g/mol
Controlled
No

Chemical Information

Hexa-4,5-dienoic Acid
CAS Number72038-67-6
PubChem CID11137123
IUPAC Namehexa-4,5-dienoic acid
Molecular FormulaC6H8O2
Molecular Weight112.13
XLogP0.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity120
SMILES
C=C=CCCC(=O)O
InChI
InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h3H,1,4-5H2,(H,7,8)
InChIKey
FEXCPDFDTUXECI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hexa-4,5-dienoic Acid
CAS: 72038-67-6
CID: 11137123
Formula: C6H8O2
MW: 112.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight112.13
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass112.052429494
Monoisotopic Mass112.052429494
Topological Polar Surface Area37.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity120
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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