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
-1.2328 0.1853 1.9609 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3130 -0.5931 1.4477 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2366 -0.5450 0.2116 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7581 -0.4995 -0.9609 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4679 0.4331 -2.0471 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1004 0.2364 -3.1663 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3822 1.4978 -2.0378 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6401 0.1122 2.9335 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5891 0.9928 1.3047 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0505 -1.4427 2.1696 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1878 -1.5619 0.4919 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5367 -1.2466 -1.2356 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0798 2.4313 -2.4060 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