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
2.8919 0.5423 -0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0713 -0.4639 -0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6268 -0.3618 -0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1547 -1.5124 0.1486 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5243 -1.4756 0.2631 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1185 -0.2314 0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3719 0.9133 0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0205 0.8632 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9873 2.1621 -0.0225 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4971 1.5339 -0.3524 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9630 0.4386 -0.3801 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5284 -1.4640 -0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3241 -2.4776 0.1938 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1243 -2.3734 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2161 -0.2034 0.2948 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5454 1.8125 -0.2091 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9715 2.2975 0.0500 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