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
4.3951 -0.0722 0.6801 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3227 0.3848 -0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5326 1.1467 -1.0816 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9542 0.0116 0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9423 0.4277 -0.4381 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4572 0.1094 -0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8583 -0.6978 0.8572 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2046 -1.0039 1.1001 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1795 -0.4849 0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7608 0.3126 -0.7549 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4632 0.6249 -1.0123 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3249 0.2284 0.3775 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7858 -0.6305 1.1034 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1553 1.0792 -1.2936 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1130 -1.1123 1.5139 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4782 -1.6419 1.9296 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2365 -0.6795 0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5203 0.7328 -1.4212 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1412 1.2647 -1.8382 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