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
2.6975 -0.9472 0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0691 0.1760 -0.1837 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6164 0.2896 -0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0351 1.5256 -0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3317 1.6866 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1647 0.6312 -0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6100 -0.6024 0.2594 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2286 -0.7312 0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4290 -1.6771 0.5835 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7745 -1.0053 -0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1981 -1.8665 0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6729 1.0431 -0.4414 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6747 2.3544 -0.6345 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7890 2.6648 -0.5459 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2515 0.7541 0.0309 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1815 -1.7046 0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1153 -2.5911 0.7910 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