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
2.8628 -0.7508 -0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9935 0.1437 -0.4311 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5877 0.0002 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0635 -1.0516 0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -1.1542 0.8886 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1690 -0.1682 0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6721 0.9032 -0.2235 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3334 0.9796 -0.5015 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5732 1.8943 -0.6322 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5817 -1.6177 0.4723 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9075 -0.6364 -0.3206 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3571 1.0149 -0.9926 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7258 -1.8582 0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6702 -1.9905 1.4302 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2413 -0.2036 0.6839 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0810 1.8164 -1.0524 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1943 2.6789 -1.1470 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