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
-2.6269 0.3854 0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5931 -0.2367 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2392 0.0607 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7621 -0.5714 -0.4632 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1486 -0.3042 -0.0794 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0846 -0.9122 -0.6233 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4663 0.6294 0.8971 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4368 1.1220 1.0039 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6468 0.1600 -0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7892 -0.9757 -1.0805 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0374 0.7921 0.8612 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5699 -1.2967 -1.2175 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3379 1.1474 0.7487 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