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
-1.4174 -1.3785 -1.3015 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5698 -0.7945 -0.4271 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5405 0.6407 -0.3026 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2053 1.3667 0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1725 0.8308 1.3986 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8523 1.6408 2.1227 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4708 -0.4913 1.6046 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4212 -2.4504 -1.3766 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0612 -0.7453 -1.8939 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0709 -1.4142 0.1633 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2459 1.1872 -0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0711 2.4641 0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4132 -0.8560 1.7108 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