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
-2.5199 0.6423 -0.7297 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6607 -0.1597 -0.1505 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2076 0.0580 -0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6493 -0.7397 0.3568 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0674 -0.4531 0.2401 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9198 -1.2158 0.7928 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5800 0.6220 -0.4492 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5659 0.4456 -0.6534 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1527 1.4858 -1.2723 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9916 -1.0381 0.4173 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1267 0.9227 -0.7779 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2994 -1.5970 0.9095 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4558 1.0270 -0.1175 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