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
2.6453 0.1599 -0.2502 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5504 -0.4985 0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2452 0.0627 -0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8478 -0.6142 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1848 -0.0814 0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1720 -0.7786 0.3231 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3382 1.1951 -0.5101 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6321 -0.2582 -0.1117 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6017 1.1668 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6599 -1.5071 0.4627 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1486 1.0552 -0.5343 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7705 -1.6319 0.5931 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1701 1.7302 -0.2861 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