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
2.8078 0.6610 -0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9757 -0.2794 -0.4426 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5713 -0.0390 -0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0267 1.1990 -0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3690 1.3747 0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1661 0.3237 0.4819 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5705 -0.9181 0.5695 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2423 -1.1027 0.2714 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3749 -1.9742 0.9731 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4958 1.6862 -0.9484 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8556 0.4603 -1.0557 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3654 -1.2802 -0.3493 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5731 2.0609 -0.5374 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8117 2.3778 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2251 0.4609 0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2220 -2.0951 0.3444 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0804 -2.9156 1.0789 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