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
3.9621 -0.0239 0.2671 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1453 1.0405 0.6157 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6614 2.1077 1.0177 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6731 0.9616 0.5297 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0929 -0.1362 0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3350 -0.2419 0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1660 0.7858 0.3555 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5399 0.6570 0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0480 -0.5377 -0.1918 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2341 -1.5927 -0.5371 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8759 -1.4451 -0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8654 -0.1715 0.7457 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1033 1.8101 0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7062 -1.0068 -0.1728 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8185 1.7448 0.7121 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1817 1.4870 0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1348 -0.6117 -0.2609 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6583 -2.5434 -0.8937 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2175 -2.2835 -0.7049 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