Monomers
3-Vinylphenol
Identifiers
IUPAC name
3-ethenylphenol
InchI
InChI=1S/C8H8O/c1-2-7-4-3-5-8(9)6-7/h2-6,9H,1H2
InchI Key
YNGIFMKMDRDNBQ-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)O
Canonical SMILES
C=CC1=CC(=CC=C1)O
Isomeric SMILES
C=CC1=CC(=CC=C1)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H8O
Heavy Atom Count
9
Molecular Weight
120.151
Exact Molecular Weight
120.0575
Valence Electrons
46
Radical Electrons
0
tPSA
20.23
MolLogP
2.0352
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
17 17 0 0 0 0 0 0 0 0999 V2000
2.9660 -0.0267 0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9227 0.7455 0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5747 0.2133 -0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3219 -1.1343 -0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9844 -1.6345 -0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0108 -0.7302 -0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7798 0.6187 -0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5168 1.0943 -0.0382 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8534 1.5260 -0.1792 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8630 -1.0894 0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9860 0.3432 0.2373 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1142 1.8167 0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1087 -1.8812 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1415 -2.7096 -0.2588 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0214 -1.1076 -0.3137 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2669 2.1624 0.0289 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2823 1.7934 0.7158 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 2 0
6 7 1 0
7 8 2 0
7 9 1 0
8 3 1 0
1 10 1 0
1 11 1 0
2 12 1 0
4 13 1 0
5 14 1 0
6 15 1 0
8 16 1 0
9 17 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers