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
2.6938 1.0834 0.2278 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0963 -0.0737 0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6568 -0.2562 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0774 -1.5087 0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2806 -1.7351 0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1229 -0.6583 -0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5760 0.6003 -0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2077 0.8069 -0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4259 1.6746 -0.3430 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7795 1.1339 0.3332 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1959 2.0114 0.0946 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6887 -0.9841 0.4116 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7596 -2.3571 0.3384 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 -2.7478 0.1268 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1917 -0.7826 -0.2016 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1926 1.7892 -0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6599 2.0041 -1.2744 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