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
-3.8209 0.8950 -0.0389 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3406 -0.3599 0.2044 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1633 -1.2770 0.4225 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8809 -0.5973 0.2034 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0668 0.3814 -0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3725 0.1902 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9673 -1.0165 0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3424 -1.1876 0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1526 -0.1094 -0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5873 1.1325 -0.3081 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2188 1.2767 -0.2909 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7468 1.0923 -0.4346 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5952 -1.6200 0.4053 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4722 1.3683 -0.2176 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3674 -1.9188 0.3994 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7775 -2.1802 0.3708 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2351 -0.2695 -0.0746 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2791 1.9445 -0.4999 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7867 2.2553 -0.4786 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