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
-2.5386 -0.7101 0.3431 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6243 0.1509 -0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2094 -0.0986 0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6716 0.7984 -0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0970 0.5369 -0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9520 1.3775 -0.5603 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5607 -0.6497 0.3571 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5909 -0.5082 0.2429 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2047 -1.6420 0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9680 1.0900 -0.4697 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0892 -1.0529 0.5202 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3179 1.7243 -0.7393 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4476 -1.0162 -0.0057 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