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
2.3208 1.6690 0.7609 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9033 0.4359 0.6244 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1982 0.4406 0.8334 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2442 -0.7696 0.2937 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0595 -1.1248 0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2469 -0.5273 0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6157 0.6885 0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9082 1.2091 0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8589 0.5039 -0.3629 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5112 -0.7211 -0.8714 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2451 -1.2248 -0.6927 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7394 2.5172 0.3799 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0086 -1.6492 0.2196 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0363 -2.2895 -0.1549 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0729 1.2589 1.0956 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1298 2.1918 0.7564 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8502 0.9095 -0.4987 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2285 -1.3265 -1.4297 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9889 -2.1916 -1.1039 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