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
-2.7464 -1.0290 0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5039 -1.3061 -0.2588 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4022 -0.4108 -0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8830 -0.8712 -0.4388 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0079 -0.1081 -0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2708 -0.5991 -0.6776 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9184 1.1739 0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6925 1.6847 0.5094 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4287 0.8642 0.3718 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6266 1.4221 0.7419 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5517 -1.7858 -0.1417 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1365 -0.1046 0.4071 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3214 -2.3088 -0.6473 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9596 -1.8892 -0.8165 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3385 -1.5473 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8269 1.7625 0.2363 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5956 2.7060 0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7756 2.3464 1.0961 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