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
-1.8286 1.1667 -0.5343 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5768 0.3391 0.5201 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3571 -0.2828 0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7577 -0.8511 0.9027 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8840 -0.6179 -0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9792 -1.1711 0.1314 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7523 0.2025 -1.1609 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7696 1.6285 -0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0257 1.3486 -1.2323 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4939 0.2443 1.1501 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8436 -0.9739 1.8457 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9917 -1.5254 1.7351 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5303 0.4925 -1.7363 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