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
2.8380 1.0564 0.6850 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8978 -0.3005 0.5879 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1097 -0.7393 0.8475 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 -1.2750 0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6896 -1.3548 -0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3953 -0.4572 -0.2286 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6775 -0.9539 -0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7551 -0.1249 -0.7772 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6398 1.2233 -0.6379 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4252 1.7510 -0.2979 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3218 0.8907 -0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5852 1.6099 0.2861 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4365 -2.3457 0.3069 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3702 -2.4768 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7698 -2.0266 -0.6934 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6939 -0.5877 -1.0445 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4615 1.9085 -0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3058 2.8217 -0.1805 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5850 1.3808 0.1623 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