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
-4.2679 0.2113 1.1983 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3044 -0.2296 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6730 -0.8794 -0.7257 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8976 0.0505 0.4773 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0074 -0.3656 -0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4271 -0.1275 -0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2977 -0.6177 -1.2436 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6582 -0.4065 -1.1538 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1782 0.2956 -0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3437 0.7888 0.8899 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9621 0.5604 0.7757 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2581 0.2785 0.9293 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5954 0.6061 1.3415 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3968 -0.9355 -1.2548 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8747 -1.1651 -2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2806 -0.8059 -1.9358 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2622 0.4478 -0.0435 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7656 1.3347 1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3503 0.9591 1.5546 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