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
-2.5939 -0.0254 0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2946 0.1976 -0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3254 -0.8650 -0.1808 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9435 -0.7195 -0.3053 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6928 0.5079 -0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2008 1.6500 -0.3368 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0997 0.4894 -0.5193 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9410 -1.0311 0.0755 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2681 0.7910 0.1025 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9465 1.2226 -0.1256 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7538 -1.8867 -0.1361 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5647 -1.6590 -0.3635 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6217 1.3281 -0.7340 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