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
3.8659 0.7925 0.3331 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3585 -0.4721 0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1875 -1.3814 -0.1616 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9082 -0.6888 -0.0799 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0644 0.3047 0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3659 0.1658 0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1752 1.2748 0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5524 1.2189 0.2086 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1770 0.0255 -0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4175 -1.1011 -0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0298 -1.0050 -0.2558 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6634 0.8984 0.9749 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5750 -1.6865 -0.3237 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4911 1.2691 0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6855 2.2238 0.5074 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1172 2.1282 0.4004 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2645 -0.0221 -0.1398 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8954 -2.0619 -0.5666 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4338 -1.8828 -0.4392 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