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
4.2890 -0.9360 0.8002 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3263 -0.1124 0.2159 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7178 0.8962 -0.4204 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9062 -0.3789 0.3174 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0431 0.4203 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4071 0.2083 -0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0027 -0.8370 0.4684 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3973 -0.9509 0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2237 -0.0485 -0.1568 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6094 1.0014 -0.8087 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2360 1.1345 -0.8258 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1949 -0.5874 1.1015 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5567 -1.2370 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4320 1.2826 -0.7873 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4031 -1.5701 0.9757 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8534 -1.7973 0.9995 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2997 -0.1597 -0.1389 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2594 1.7109 -1.3031 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7742 1.9611 -1.3402 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