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
3.6209 -0.7563 -0.9338 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1902 -0.9854 0.3411 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9636 -1.4550 1.2412 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8096 -0.6901 0.6995 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0203 -0.2062 -0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3740 0.1342 -0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9850 -0.0241 1.1787 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3135 0.3203 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0432 0.8162 0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4196 0.9730 -0.9476 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1044 0.6408 -1.1053 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6188 -0.8197 -1.1207 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4626 -0.8728 1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4596 -0.0552 -1.2369 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4307 -0.4217 2.0448 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7766 0.1869 2.2677 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1056 1.0921 0.3651 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 1.3648 -1.7656 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5929 0.7583 -2.0598 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