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
4.0580 1.7605 -0.0712 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2708 0.6284 0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8482 -0.4727 0.2567 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7864 0.7166 0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0784 -0.3814 0.1646 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3737 -0.3391 0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0812 -1.5407 0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4513 -1.5730 0.2427 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1591 -0.4071 0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4861 0.7733 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0996 0.8146 -0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0770 1.6943 -0.2041 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3496 1.6853 -0.1367 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5530 -1.3513 0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5308 -2.4828 0.4331 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9615 -2.5374 0.3724 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2339 -0.4635 0.0264 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0467 1.6960 -0.2627 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5975 1.7802 -0.2059 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