Monomers
CID 95516
Identifiers
IUPAC name
penta-2,4-dienoic acid
InchI
InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h2-4H,1H2,(H,6,7)
InchI Key
SDVVLIIVFBKBMG-UHFFFAOYSA-N
SMILES
C=CC=CC(=O)O
Canonical SMILES
C=CC=CC(=O)O
Isomeric SMILES
C=CC=CC(=O)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H6O2
Heavy Atom Count
7
Molecular Weight
98.101
Exact Molecular Weight
98.0368
Valence Electrons
38
Radical Electrons
0
tPSA
37.3
MolLogP
0.8132
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
13 12 0 0 0 0 0 0 0 0999 V2000
-2.3314 0.5956 -0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0700 0.3381 0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2827 -0.3577 -0.8469 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9787 -0.6903 -0.7496 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8249 -0.4253 0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0511 -0.7960 0.3767 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4495 0.2143 1.5417 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7495 0.2922 -1.0386 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9197 1.1067 0.6351 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6929 0.6600 1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7745 -0.6487 -1.8071 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4418 -1.2221 -1.6117 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0747 0.9332 1.9369 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 3
4 5 1 0
5 6 2 0
5 7 1 0
1 8 1 0
1 9 1 0
2 10 1 0
3 11 1 0
4 12 1 0
7 13 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers