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
2.7073 -0.6176 1.4930 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9757 -0.4870 0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2588 -0.6413 -0.0900 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1365 -0.2233 -0.9673 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9086 -0.0139 -1.2188 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3290 0.0754 -0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4638 -0.0760 0.8359 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6893 0.0152 1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8121 0.2715 0.7734 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7289 0.4316 -0.5849 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5205 0.3367 -1.2145 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2269 -0.0787 2.2021 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8001 -0.1948 -1.9493 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7413 0.1542 -2.3546 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3761 -0.2762 1.4576 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7052 -0.1184 2.5862 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7473 0.3376 1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6472 0.6343 -1.1363 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4881 0.4709 -2.3093 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