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
-2.5121 -0.1827 0.8937 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6679 0.1563 -0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2274 0.0306 0.1375 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6050 0.3685 -0.8091 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0484 0.2581 -0.6545 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8475 0.5772 -1.5495 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6202 -0.2246 0.5395 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1187 -0.5643 1.8427 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5714 -0.0825 0.7305 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0470 0.5324 -0.9932 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1880 -0.3447 1.0684 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2332 0.7454 -1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6024 -0.4704 0.5989 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