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
3.9919 -1.7064 0.0294 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6302 -1.2902 0.1889 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0421 -1.9656 1.0442 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1324 -0.2259 -0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0507 0.4342 -0.7674 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2787 0.4417 -0.2426 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7678 -0.3874 0.7343 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0890 -0.3326 1.2057 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9676 0.5797 0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4942 1.4137 -0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2097 1.3648 -0.7455 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3653 -2.4769 0.5841 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9781 0.1801 -1.3041 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1701 1.2670 -1.5802 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1242 -1.1179 1.1721 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3561 -1.0354 1.9751 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9949 0.6518 1.0307 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1815 2.1548 -0.7107 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8971 2.0504 -1.5170 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