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
4.3196 0.2442 -0.5128 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9026 0.3513 -0.3708 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5174 1.5256 -0.4762 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1005 -0.7984 -0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8810 -1.0817 0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3853 -0.4085 0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5469 -1.1687 0.3083 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8140 -0.6516 0.3834 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9600 0.7034 0.2321 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8977 1.5124 0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6261 0.9273 -0.0515 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8797 1.0851 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7653 -1.7531 -0.0928 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7581 -2.2279 0.1891 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4171 -2.2417 0.4266 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6853 -1.2809 0.5567 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9636 1.1096 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0228 2.5734 -0.1016 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1946 1.5803 -0.2218 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