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
3.8820 0.7096 -0.1485 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3403 -0.5288 0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1273 -1.4883 0.3436 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8862 -0.7166 0.2063 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0738 0.2962 -0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3786 0.1979 0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0382 -0.9763 0.3131 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4213 -1.0526 0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1832 0.0694 0.1124 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5577 1.2801 -0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1810 1.3159 -0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8556 0.8666 -0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5185 -1.7189 0.4386 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5360 1.2637 -0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4856 -1.8816 0.5083 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9062 -1.9871 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2565 -0.0498 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1614 2.1577 -0.3593 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6500 2.2428 -0.4199 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