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
-3.0259 0.3876 -0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0469 -0.4766 -0.1249 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6331 -0.1472 0.0631 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2202 1.1498 0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1254 1.4295 0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0945 0.4574 0.4216 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6749 -0.8427 0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3422 -1.1313 0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5664 -1.9047 0.1552 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0401 0.0733 -0.2548 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8314 1.4286 0.0488 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2920 -1.5278 -0.2898 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9142 1.9825 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4665 2.4494 0.6228 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1500 0.6373 0.5531 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0167 -2.1694 -0.1399 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5671 -1.7959 0.2717 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