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
4.1896 -0.7242 -1.2892 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2245 -0.7413 -0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5861 -1.1221 0.8496 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8318 -0.3342 -0.5436 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9792 -0.3771 0.4457 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4172 0.0040 0.2997 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2598 -0.0751 1.4214 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5757 0.2779 1.3076 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1219 0.7175 0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2777 0.7833 -0.9575 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9273 0.4341 -0.8921 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1803 -0.5518 -1.0695 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5263 -0.0077 -1.5273 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3100 -0.7072 1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8484 -0.4171 2.3635 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2372 0.2144 2.1937 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1742 0.9883 0.0674 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6566 1.1220 -1.9179 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3320 0.5162 -1.7868 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