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
2.8025 -0.8747 0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0612 0.0823 -0.4245 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6380 0.2315 -0.2316 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0390 1.2972 -0.8282 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3993 1.4793 -0.6711 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1535 0.6087 0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5025 -0.4483 0.6842 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1207 -0.6312 0.5233 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2122 -1.3440 1.4517 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3316 -1.6207 0.6975 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8645 -0.9635 -0.0761 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5768 0.8099 -1.0351 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5598 1.9858 -1.4293 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9097 2.3058 -1.1369 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2191 0.7440 0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3692 -1.4746 1.0049 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6476 -2.1877 1.0832 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