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
2.8498 0.6188 -0.5156 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9398 -0.3080 -0.3622 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5514 -0.0235 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0779 1.2558 0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2893 1.4333 0.2604 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1228 0.3499 0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6595 -0.9454 0.2908 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3197 -1.1150 0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5527 -1.9895 0.4388 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6240 1.6684 -0.4577 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9009 0.3931 -0.7129 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3137 -1.3461 -0.4472 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7289 2.1049 -0.1008 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6127 2.4588 0.3362 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1834 0.5349 0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0402 -2.1329 -0.0411 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2864 -2.9576 0.3744 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