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
2.9863 -0.1425 0.2202 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8817 -0.8325 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5679 -0.2201 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4096 1.1440 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8730 1.6912 -0.2112 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9586 0.8527 -0.2643 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8305 -0.5058 -0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5729 -1.0362 -0.0473 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9155 -1.3759 -0.2358 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9672 0.9205 0.1649 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9468 -0.6310 0.3292 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9098 -1.9261 0.2156 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2568 1.8172 -0.0306 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9920 2.7586 -0.2756 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9417 1.2773 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4129 -2.1037 0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4291 -1.6876 0.5721 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