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
-2.4511 -0.7997 0.8297 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6846 -0.1987 -0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2539 -0.1425 0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5595 0.4481 -0.7091 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9868 0.4741 -0.4736 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4555 -0.0752 0.5554 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8718 1.0845 -1.3413 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5301 -0.8411 0.6888 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0200 -1.2634 1.7056 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0938 0.2711 -0.9272 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1513 -0.6244 1.0408 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1834 0.9232 -1.5933 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8253 0.7440 -1.3316 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