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
2.6068 1.1834 0.0798 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0190 0.1000 0.5209 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6466 -0.1872 0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1218 -1.3735 0.7725 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1909 -1.6724 0.5296 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0104 -0.8241 -0.2208 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5120 0.3445 -0.7392 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1796 0.6374 -0.4866 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2755 1.2246 -1.4903 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0483 1.8877 -0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6736 1.3797 0.3042 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6145 -0.6004 1.1151 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7531 -2.0326 1.3538 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6392 -2.5789 0.9122 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0490 -1.0551 -0.4162 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1832 1.5717 -0.9124 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8102 1.9952 -1.0699 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