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
4.3574 0.6943 -0.2199 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3133 -0.2018 -0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6203 -1.4307 -0.0648 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8873 0.2166 -0.1695 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9258 -0.6629 -0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4726 -0.3106 -0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4751 -1.2665 -0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7914 -0.9214 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1155 0.4181 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1649 1.4059 -0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8321 1.0024 -0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2995 0.4062 -0.4333 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7672 1.2868 -0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1791 -1.7057 -0.0289 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1748 -2.2851 0.0278 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5927 -1.6757 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1639 0.7421 -0.1658 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4468 2.4587 -0.2986 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1199 1.8293 -0.2698 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