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
-2.6757 0.1618 0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5838 -0.5381 0.2557 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2467 0.0172 0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8537 -0.6411 0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1604 -0.0624 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2211 -0.7094 0.2776 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3390 1.2358 -0.4232 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5513 1.1696 -0.3579 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6714 -0.1911 0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7002 -1.5477 0.6243 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1609 1.0421 -0.3316 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7949 -1.6456 0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2210 1.7089 -0.3296 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