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
-1.9601 -1.6874 -0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4126 -0.8264 0.3648 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1801 -0.1427 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3618 0.7155 0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6039 1.4181 0.5677 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0947 2.2279 1.3789 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2643 1.1969 -0.6356 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4784 -1.9000 -1.4334 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8683 -2.2215 -0.2792 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8982 -0.6319 1.3053 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3071 -0.3370 -0.9029 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1259 0.9036 1.8039 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2919 1.2848 -0.6354 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