Monomers
cis-Cinnamic acid
Identifiers
IUPAC name
(Z)-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-SREVYHEPSA-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
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
3.2651 -2.1324 0.8451 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1900 -2.5855 0.1055 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2430 -3.7536 -0.3427 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0002 -1.7620 -0.1737 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9269 -0.5338 0.2884 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2030 0.3586 0.0682 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1813 1.6466 0.6038 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2139 2.5367 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3314 2.1809 -0.2891 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3624 0.9116 -0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3138 0.0110 -0.6471 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2133 -2.4923 0.6746 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1889 -2.1551 -0.7528 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7718 -0.1643 0.8752 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7140 1.9255 1.1798 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1283 3.5371 0.8845 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1594 2.8652 -0.4381 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2339 0.6004 -1.3987 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3858 -0.9946 -1.0937 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