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
-2.6073 0.5096 -0.2909 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6103 -0.3251 -0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2220 0.0976 -0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7607 -0.7744 0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1514 -0.3562 0.2556 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0975 -1.1418 0.3771 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4420 1.0098 0.2593 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4231 1.5617 -0.2925 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6041 0.1504 -0.3941 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8214 -1.3890 -0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0017 1.1528 -0.0151 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5129 -1.8210 0.1043 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3254 1.3254 -0.1622 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