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
4.2509 1.2271 -0.2547 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3488 0.2189 0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7624 -0.8996 0.4509 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9209 0.4779 -0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0387 -0.4551 0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4024 -0.3077 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2501 -1.3701 0.4046 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6092 -1.2209 0.2976 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2095 -0.0531 -0.1256 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3852 0.9972 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9982 0.8519 -0.3432 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1317 1.2553 0.2807 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5645 1.4362 -0.4369 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4162 -1.4316 0.5356 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8007 -2.3047 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2394 -2.0635 0.5591 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2958 0.0173 -0.1945 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8341 1.9166 -0.7822 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4094 1.7077 -0.6109 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