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
4.0203 0.1990 0.0787 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2568 -0.9396 0.2808 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8563 -2.0211 0.4744 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8097 -0.9287 0.2771 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1069 0.1564 0.0827 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3460 0.2154 0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9819 1.4285 -0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3592 1.5543 -0.1708 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1657 0.4472 0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5614 -0.7582 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1658 -0.8743 0.2636 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8620 0.3611 0.6518 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2949 -1.8583 0.4422 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6747 1.0812 -0.0815 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3529 2.2952 -0.3004 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7819 2.5375 -0.3466 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2448 0.5670 0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1982 -1.6314 0.3961 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7239 -1.8312 0.4347 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