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
2.5424 1.8082 0.4817 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8629 0.5212 0.8393 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1277 0.4404 1.2258 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1129 -0.6770 0.8657 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9379 -1.0834 0.6053 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2823 -0.5180 0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4118 -1.3380 -0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6268 -0.8894 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7959 0.4353 -0.7981 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7180 1.2710 -0.6542 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4919 0.7965 -0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2199 2.3263 -0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7989 -1.5537 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8200 -2.2238 0.8047 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3429 -2.4019 0.2087 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4822 -1.5616 -0.5893 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7619 0.8053 -1.1565 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8029 2.3260 -0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2941 1.5168 -0.1162 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