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
-2.8300 0.6136 -0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0535 -0.4332 -0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6128 -0.3965 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1762 -1.5298 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5519 -1.4980 0.2247 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1829 -0.3194 0.4761 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4228 0.8279 0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0359 0.7912 0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0495 2.0551 0.8087 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8951 0.4993 -0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4980 1.6181 0.1819 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5007 -1.4090 -0.2632 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2969 -2.4711 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1431 -2.4039 0.1647 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2382 -0.2846 0.6117 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4933 1.7211 0.4451 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3798 2.6192 0.0314 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