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
-2.6566 0.4974 0.4882 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6158 0.4297 -0.3036 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3286 0.0357 0.2446 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7671 -0.0522 -0.5068 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0383 -0.4453 0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1240 -0.7109 1.2698 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1586 -0.5304 -0.7379 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5539 0.2647 1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6032 0.7871 0.0853 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7001 0.6663 -1.3775 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2453 -0.1953 1.2922 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7146 0.1735 -1.5615 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9010 -1.1923 -0.4699 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