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
2.7235 0.7321 0.0793 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0143 -0.3182 0.3551 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5722 -0.3201 0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1281 -1.4984 0.5011 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4932 -1.5603 0.3561 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1726 -0.4547 -0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5166 0.7088 -0.4291 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1353 0.7633 -0.2797 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2395 1.7965 -0.8922 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3026 1.6449 -0.2869 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8013 0.7353 0.2094 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5414 -1.2081 0.7263 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4450 -2.3443 0.8625 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0158 -2.4909 0.6133 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2445 -0.5283 -0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3571 1.6699 -0.5323 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8119 2.6723 -1.1421 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