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
3.8222 -0.9334 -0.2935 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3379 0.2215 0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1489 1.0446 0.7767 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9203 0.4962 0.3711 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0577 -0.3595 -0.1286 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3866 -0.1506 -0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9693 0.9617 0.4719 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3429 1.1492 0.5019 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1575 0.1859 -0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6138 -0.9448 -0.6273 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2419 -1.0940 -0.6369 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8091 -1.1411 -0.1906 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5948 1.4054 0.8388 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4549 -1.2598 -0.5879 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3832 1.7424 0.9176 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7985 2.0307 0.9483 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2488 0.3274 -0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2334 -1.7057 -1.0641 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7697 -1.9759 -1.0826 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