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
-2.4766 0.9289 -0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6007 0.1727 -0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2296 0.1330 -0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6503 -0.6265 -0.9067 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0574 -0.6925 -0.4738 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8382 -1.4419 -1.1074 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4975 0.0510 0.5984 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1738 1.5303 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5014 0.9364 -0.5068 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9111 -0.4407 -1.6142 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0843 0.7218 0.5395 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3249 -1.2142 -1.7459 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4404 -0.0584 1.0007 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