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
4.3393 0.2896 0.2518 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9041 0.4317 0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5155 1.5789 0.4530 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1157 -0.7172 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9004 -1.0682 -0.1932 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3851 -0.4282 -0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5438 -1.2043 -0.3292 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8125 -0.6780 -0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0287 0.6461 0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9295 1.4282 0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6313 0.8852 0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8787 1.1448 0.4612 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8082 -1.6444 -0.2356 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8068 -2.1989 -0.4433 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3970 -2.2531 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6741 -1.3100 -0.4448 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0150 1.0788 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0314 2.4840 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1799 1.5351 0.3418 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