Monomers
Cinnamic acid
Identifiers
IUPAC name
(E)-3-phenylprop-2-enoic acid
InchI
InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
InchI Key
WBYWAXJHAXSJNI-VOTSOKGWSA-N
SMILES
OC(=O)/C=C/c1ccccc1
Canonical SMILES
C1=CC=C(C=C1)C=CC(=O)O
Isomeric SMILES
C1=CC=C(C=C1)/C=C/C(=O)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H8O2
Heavy Atom Count
11
Molecular Weight
148.161
Exact Molecular Weight
148.0524
Valence Electrons
56
Radical Electrons
0
tPSA
37.3
MolLogP
1.7844
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
19 19 0 0 0 0 0 0 0 0999 V2000
2.3951 -1.6415 1.1981 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7995 -1.1279 -0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0489 -1.4477 -0.3060 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1346 -0.3300 -0.9688 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9959 0.2149 -1.1481 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2543 0.3122 -0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3285 1.0379 -0.9959 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5483 1.1891 -0.4135 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7571 0.5888 0.8071 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7576 -0.1383 1.4098 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5157 -0.2624 0.7635 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9881 -1.6346 2.0394 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8405 -0.0905 -1.8913 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9403 0.8033 -2.1632 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1759 1.5151 -1.9568 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3582 1.7598 -0.8688 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7181 0.7099 1.2622 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9245 -0.6148 2.3794 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1955 -0.8433 1.3058 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 2 3
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 6 1 0
1 12 1 0
4 13 1 0
5 14 1 0
7 15 1 0
8 16 1 0
9 17 1 0
10 18 1 0
11 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers