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
3.7697 -1.0472 0.3105 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3856 0.2409 -0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2430 1.1201 -0.3255 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9507 0.5207 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0430 -0.3998 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4003 -0.1800 -0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9196 1.0322 -0.4315 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2944 1.2727 -0.5386 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1321 0.2278 -0.2475 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6332 -1.0038 0.1336 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2849 -1.2245 0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6680 -1.1645 0.8011 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6536 1.5047 -0.5069 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4197 -1.3785 0.3494 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3056 1.8806 -0.6695 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6946 2.2310 -0.8355 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1971 0.3660 -0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3548 -1.8030 0.3541 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9168 -2.1952 0.5338 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