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
2.2347 0.2745 -1.9918 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6750 -0.5877 -1.0278 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9049 -0.9921 -1.2617 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0831 -1.1113 0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9560 -1.0263 0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2588 -0.3300 0.4363 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6376 0.2179 -0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8213 0.9438 -0.8575 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6584 1.1462 0.2077 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2865 0.5970 1.4115 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1272 -0.1186 1.5303 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7657 1.0876 -2.3085 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8309 -1.8110 0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8839 -1.6668 1.6943 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0510 0.0591 -1.6562 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0681 1.3586 -1.8405 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5691 1.7194 0.0787 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9654 0.7664 2.2518 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8911 -0.5268 2.5236 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