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
2.3651 0.8773 -1.7521 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8960 0.0975 -0.7727 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2051 0.0001 -0.8973 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2573 -0.5829 0.3008 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0919 -0.7650 0.7616 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2365 -0.3705 0.4272 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6060 0.2485 -0.7392 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9254 0.6557 -0.9773 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9105 0.4516 -0.0523 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5391 -0.1697 1.1144 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2825 -0.5713 1.3729 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7489 1.8143 -1.9498 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0914 -1.1418 0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1139 -1.4448 1.6982 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1100 0.4117 -1.5215 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1449 1.1360 -1.9125 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9258 0.7673 -0.2398 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3142 -0.3468 1.8764 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9950 -1.0672 2.3140 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