Monomers
2-Vinylhydroquinone
Identifiers
IUPAC name
2-ethenylbenzene-1,4-diol
InchI
InChI=1S/C8H8O2/c1-2-6-5-7(9)3-4-8(6)10/h2-5,9-10H,1H2
InchI Key
GWYFZTJDIQALEB-UHFFFAOYSA-N
SMILES
C=Cc1cc(O)ccc1O
Canonical SMILES
C=CC1=C(C=CC(=C1)O)O
Isomeric SMILES
C=CC1=C(C=CC(=C1)O)O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H8O2
Heavy Atom Count
10
Molecular Weight
136.15
Exact Molecular Weight
136.0524
Valence Electrons
52
Radical Electrons
0
tPSA
40.46
MolLogP
1.7408
H Bond Acceptors
2
H Bond Donors
2
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
18 18 0 0 0 0 0 0 0 0999 V2000
-2.4857 -1.3008 0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0034 -0.0875 0.1281 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5558 0.1152 0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3166 -0.9103 -0.2059 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7004 -0.7401 -0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5294 -1.8198 -0.5416 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2104 0.5323 -0.1879 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3373 1.5725 0.0382 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0483 1.3894 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8430 2.4910 0.3721 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9593 -2.2056 -0.1668 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5805 -1.4018 0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6655 0.7740 0.3094 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0251 -1.9133 -0.3112 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9029 -2.3181 0.2646 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2864 0.6903 -0.2687 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7023 2.5877 0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8193 2.5450 0.4725 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 1 0
5 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
9 3 1 0
1 11 1 0
1 12 1 0
2 13 1 0
4 14 1 0
6 15 1 0
7 16 1 0
8 17 1 0
10 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers