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
-2.9817 -0.2041 -0.3854 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8588 -0.8692 -0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5680 -0.2473 -0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3923 1.1075 -0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8637 1.7017 0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9699 0.9006 0.3345 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7786 -0.4649 0.3179 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5536 -1.0554 0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9314 -1.2545 0.4943 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9396 -0.6967 -0.5223 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0235 0.8755 -0.4008 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9407 -1.9650 -0.2171 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2434 1.7481 -0.1459 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9613 2.7768 0.1701 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9752 1.3201 0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4394 -2.1265 0.1347 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4749 -1.5467 -0.3073 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