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
3.7567 0.9301 -0.3119 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3244 -0.3787 -0.1491 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1836 -1.2759 -0.1049 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9075 -0.7195 -0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0262 0.2454 -0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4022 0.0193 0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2561 1.1271 -0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6086 0.9155 0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1377 -0.3560 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2846 -1.4350 0.2896 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9011 -1.2557 0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6579 1.0589 -0.7639 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6264 -1.7426 0.0935 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3583 1.2909 -0.2098 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8244 2.1196 -0.1694 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2467 1.7833 0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2085 -0.4670 0.3002 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7029 -2.4257 0.4182 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2683 -2.1458 0.2465 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