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
3.8678 0.7235 -0.0458 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3257 -0.5107 -0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1186 -1.3799 -0.8356 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8856 -0.6878 -0.3878 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0922 0.2665 0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3629 0.1541 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0992 1.2239 0.5706 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4714 1.1693 0.6707 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1715 0.0414 0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4478 -1.0349 -0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0581 -0.9801 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7108 1.0593 -0.5299 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4820 -1.6337 -0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5511 1.1974 0.3296 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5938 2.1553 0.8662 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0602 2.0153 1.0308 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2585 -0.0056 0.3982 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9919 -1.9341 -0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5187 -1.8391 -0.5976 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