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
4.1956 1.3236 0.4091 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2795 0.3019 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6497 -0.8603 0.6391 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8820 0.5788 0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0197 -0.4184 0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4261 -0.2572 -0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1863 -1.4310 0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5469 -1.3732 -0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1521 -0.1515 -0.4464 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3954 1.0009 -0.4999 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0169 0.9551 -0.2937 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1304 1.1293 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5201 1.5963 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4308 -1.4221 0.3972 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7243 -2.3861 0.2215 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1806 -2.2671 -0.1511 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2228 -0.1361 -0.6036 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8399 1.9687 -0.7012 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4165 1.8484 -0.3332 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