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
4.2746 -0.9093 -0.8903 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3272 -0.3292 -0.0607 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7633 0.2987 0.9393 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9057 -0.4474 -0.3426 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0361 0.1005 0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4022 0.0398 0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9921 -0.6181 -0.8085 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3719 -0.6598 -0.9693 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2029 -0.0347 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6336 0.6320 1.0072 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2599 0.6548 1.1384 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2354 -0.6668 -0.9361 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5831 -0.9948 -1.2104 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3976 0.6517 1.3193 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4060 -1.1224 -1.5462 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8443 -1.1723 -1.7936 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2798 -0.0506 -0.1619 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3101 1.1123 1.7016 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8202 1.1828 1.9844 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