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
-2.0837 1.2671 1.2652 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5911 0.1886 0.7111 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1806 0.1801 0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3448 -0.8915 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7390 -0.9473 -0.6407 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2221 -1.9710 -1.1708 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5857 0.1590 -0.4418 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1146 1.2832 1.5532 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4474 2.1133 1.4204 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2264 -0.6734 0.5495 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4483 1.0411 0.4854 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2670 -1.7601 -0.4086 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5709 0.0109 -0.1856 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