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
-1.6518 1.5326 0.5702 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5227 0.2068 0.8232 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4457 -0.4513 0.3174 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5473 -1.0581 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5192 -0.2544 -0.9397 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3207 0.9608 -1.0838 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6237 -0.8486 -1.5057 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4856 2.0795 0.9562 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9384 2.0699 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3801 -0.1601 1.4468 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8700 -1.6553 0.9168 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8489 -2.1233 -0.0873 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4346 -0.2985 -1.7011 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