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
2.8727 0.2020 -0.1092 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9443 -0.6942 0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5188 -0.4342 -0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4223 -1.4391 0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7782 -1.2566 0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2676 -0.0290 -0.3012 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3642 0.9760 -0.5509 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0108 0.7784 -0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8221 2.2262 -0.9416 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6108 1.1953 -0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9125 -0.1083 0.0346 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2135 -1.7196 0.4223 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0448 -2.4090 0.5107 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5002 -2.0381 0.2776 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3451 0.1418 -0.4059 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6929 1.6051 -0.6318 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2319 3.0033 -1.1402 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