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 -0.0624 -0.1547 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5527 -0.4065 0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2422 -0.0957 -0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8647 -0.4342 0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1630 -0.1119 0.0636 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2114 -0.4458 0.6811 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3109 0.5751 -1.1441 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6311 -0.3057 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6582 0.4707 -1.0953 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6239 -0.9362 1.4149 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1778 0.4391 -0.9721 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7759 -0.9634 1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2165 0.4918 -1.6183 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