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
3.8165 -0.3055 0.4888 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0531 -1.3776 0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5906 -2.4872 -0.0906 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6356 -1.2173 -0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0887 -0.0435 0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3135 0.2896 -0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1936 -0.6786 -0.4702 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5494 -0.3585 -0.6254 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0274 0.9071 -0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1356 1.8784 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7997 1.5670 0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8145 -0.3845 0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0408 -2.0693 -0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7575 0.7664 0.3982 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8910 -1.6996 -0.6706 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2404 -1.1478 -0.9404 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0809 1.1617 -0.5138 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4896 2.8858 0.1884 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0761 2.3134 0.4641 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