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
1.9703 -0.5287 -1.5830 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9518 -0.4968 -0.7385 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3834 0.7699 -0.3429 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6199 0.9343 0.4809 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3496 -0.1249 1.1514 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1085 -1.3474 1.0256 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4137 0.2051 2.0152 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3568 0.3976 -1.9603 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4102 -1.4519 -1.8926 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6060 -1.4623 -0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8199 1.6993 -0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9779 1.9587 0.7169 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0288 -0.5528 2.2821 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