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
4.2242 -1.1905 0.4602 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2504 -0.6471 -0.3588 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5493 -0.2551 -1.4970 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8720 -0.5352 0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9806 -0.0128 -0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4152 0.1483 -0.3332 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9256 -0.2309 0.8887 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2877 -0.0422 1.1641 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1199 0.5148 0.2339 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6124 0.8955 -0.9899 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2808 0.7151 -1.2692 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1786 -0.8272 0.3611 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6214 -0.8804 1.1117 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2730 0.3273 -1.7008 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2766 -0.6746 1.6371 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6624 -0.3462 2.1245 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1842 0.6654 0.4412 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2556 1.3421 -1.7488 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9289 1.0334 -2.2529 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