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
-2.3919 -1.1570 0.6869 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6607 -0.1647 0.2461 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2232 -0.3271 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5422 0.6500 -0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9786 0.4737 -0.5223 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6973 1.4292 -0.9490 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6339 -0.7018 -0.2330 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4539 -1.0139 0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9382 -2.1298 0.9399 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1193 0.7749 0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2384 -1.2727 0.3228 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0732 1.5884 -0.6003 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6236 -0.8573 -0.4168 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