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
-4.2224 1.2825 0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3265 0.2440 -0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7563 -0.9335 -0.1069 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8697 0.4969 0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0175 -0.5073 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4135 -0.3191 0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2219 -1.4569 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5919 -1.3105 0.0658 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1499 -0.0524 0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3767 1.0854 0.1979 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9943 0.9291 0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1680 1.1820 0.3717 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5398 1.5175 0.1028 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4108 -1.5209 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8263 -2.4475 -0.0541 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2291 -2.1895 0.0345 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2361 0.0982 0.1978 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8468 2.0596 0.2687 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4246 1.8426 0.1819 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