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
2.4087 0.9807 2.9815 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6644 -0.0255 2.0546 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7483 -0.6466 2.1808 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7402 -0.3573 0.9883 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6131 0.3027 0.8727 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4006 0.0732 -0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2220 -0.8995 -1.0948 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2061 -1.1077 -2.0688 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3268 -0.3204 -2.0381 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5209 0.6665 -1.0865 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5423 0.8425 -0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1564 1.5146 3.4128 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9920 -1.1387 0.3086 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4347 1.1007 1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6663 -1.5244 -1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0153 -1.8838 -2.7883 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0979 -0.4654 -2.7811 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4212 1.2801 -1.0829 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6710 1.6083 0.6026 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