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
2.8580 0.4200 0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0225 -0.5891 0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5845 -0.4209 -0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2658 -1.5184 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6260 -1.4295 -0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1672 -0.1791 -0.3714 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3876 0.9584 -0.4157 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0125 0.8009 -0.2374 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9362 2.2210 -0.6289 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5770 1.4487 -0.0133 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9425 0.2783 0.2837 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4141 -1.5734 0.3255 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1641 -2.4877 0.1727 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2765 -2.3091 -0.1318 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2513 -0.0822 -0.5087 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5924 1.6941 -0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2320 2.7682 0.1944 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