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
-2.7259 0.1740 0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5897 -0.3682 0.4898 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3634 0.0379 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7893 -0.5294 0.2314 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0236 -0.1204 -0.4099 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0644 0.7538 -1.3173 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2077 -0.7182 -0.0057 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7542 0.9420 -0.6514 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6414 -0.1386 0.6195 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5709 -1.1133 1.2537 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3768 0.7808 -0.9095 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8282 -1.2809 0.9982 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1091 -0.3733 -0.2860 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