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
3.9061 0.3584 -0.4061 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2740 -0.8025 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9738 -1.7971 0.3026 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8068 -0.8581 0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1039 0.2043 -0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3480 0.2199 -0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1048 -0.8610 0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4910 -0.8456 0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1585 0.3092 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4070 1.4087 -0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0329 1.3874 -0.4699 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8838 0.5001 -0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3563 -1.7801 0.4434 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6094 1.1044 -0.5241 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6381 -1.7846 0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0861 -1.6908 0.6624 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2515 0.3610 0.0494 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9422 2.3226 -0.6722 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4540 2.2437 -0.7853 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