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
3.7929 -0.8063 -0.5630 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3301 0.4434 -0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1018 1.4156 -0.0303 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8978 0.6452 0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0473 -0.3480 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3697 -0.1748 0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9595 1.0021 0.6401 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3303 1.1192 0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1387 0.0186 0.7183 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5916 -1.1828 0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2408 -1.2652 0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7794 -0.9653 -0.6777 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5978 1.6328 0.4115 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4387 -1.3233 -0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3270 1.8889 0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7211 2.0780 1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2141 0.0942 0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2463 -2.0599 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8468 -2.2125 -0.2168 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