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
-4.1723 -0.7285 0.8898 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7555 -0.4154 0.8283 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3034 -0.0129 1.9115 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1275 -0.6119 -0.4203 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9559 -0.4741 -0.9135 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3365 -0.0472 -0.4562 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4084 -0.0566 -1.3870 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6832 0.3288 -1.0672 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9373 0.7455 0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9533 0.7695 1.1288 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6492 0.3744 0.7988 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6341 -0.5850 1.7986 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8773 -1.0083 -1.2272 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9503 -0.7845 -2.0493 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2467 -0.3791 -2.4117 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4856 0.3141 -1.7916 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9770 1.0465 0.4322 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1668 1.1002 2.1401 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0674 0.4244 1.5766 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