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
3.7998 0.7959 -0.7347 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3053 -0.4676 -0.4698 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1177 -1.4212 -0.4433 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8960 -0.7317 -0.2234 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0647 0.2922 -0.2578 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3781 0.1793 -0.0296 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1914 1.3106 -0.0831 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5471 1.2232 0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1626 0.0258 0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3858 -1.1109 0.4607 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0079 -1.0078 0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7961 1.0216 -0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5723 -1.7409 -0.0222 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4529 1.2957 -0.4676 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7207 2.2818 -0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1589 2.1114 0.0827 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2298 -0.0451 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8282 -2.0956 0.6755 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3943 -1.9165 0.2922 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