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
3.9119 0.0057 -0.5259 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2555 -0.8618 0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9944 -1.7325 0.9033 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8403 -0.8262 0.5906 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0759 0.0649 0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3613 0.1760 0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0875 1.1526 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4489 1.3079 -0.3063 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1343 0.4639 0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4478 -0.5195 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0775 -0.6484 1.0405 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8717 0.3137 -0.3939 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3960 -1.5317 1.2686 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5497 0.7685 -0.6767 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5362 1.8169 -1.1217 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0055 2.0754 -0.8308 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2072 0.5851 0.6554 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0128 -1.1757 1.8758 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5764 -1.4346 1.5920 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