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
2.7172 -2.4827 2.1432 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7891 -1.7878 1.3167 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5700 -2.3416 0.2437 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2248 -0.5728 1.7984 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4198 0.3083 1.3578 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2967 0.4827 0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4277 1.3469 0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1390 1.6453 -0.9989 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7651 1.0885 -2.1974 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6789 0.2462 -2.2349 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0530 -0.0547 -1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1903 -3.2745 1.7319 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5937 -0.3113 2.8860 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2106 1.1933 2.0828 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7257 1.7855 1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9972 2.3240 -0.9156 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2996 1.2936 -3.1091 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3538 -0.2119 -3.1615 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9152 -0.6772 -1.1815 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