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
-4.3669 0.7665 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3391 -0.1199 0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5972 -1.3122 0.3877 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9120 0.2469 -0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9579 -0.6247 0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4357 -0.2476 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4010 -1.2533 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7418 -1.0033 0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1438 0.2913 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2232 1.3027 -0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8708 1.0187 -0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1981 0.7080 0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6951 1.2649 -0.2288 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2400 -1.6435 0.3658 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0725 -2.2638 0.4065 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4866 -1.8029 0.2156 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2003 0.5350 -0.3044 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5561 2.3138 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1747 1.8233 -0.4191 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