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
-2.5300 0.2779 0.3964 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2026 0.3361 0.3999 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4570 -0.6376 -0.3497 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8308 -0.7469 -0.4701 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7695 0.1547 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4143 1.1021 0.8934 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1612 -0.0140 0.0072 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0163 -0.4962 -0.1673 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0731 1.0127 0.9615 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7899 1.1428 0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0500 -1.3940 -0.8968 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2266 -1.5700 -1.0968 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7167 0.8324 0.0290 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