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
4.3437 -0.6512 -0.4380 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3120 0.1237 0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5796 1.1656 0.6756 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9225 -0.2612 -0.1665 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9621 0.5038 0.3115 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4374 0.2187 0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8875 -0.8812 -0.5025 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2436 -1.1516 -0.6471 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1461 -0.2955 -0.1146 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7087 0.8081 0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3721 1.0820 0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2643 -0.2555 -0.5835 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6512 -1.1550 -0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2295 1.4240 0.8661 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2237 -1.6153 -0.9576 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5787 -2.0233 -1.1714 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2060 -0.5108 -0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4240 1.5125 0.9867 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0372 1.9624 1.2255 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