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
0.6687 -0.2482 -2.7580 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7878 -0.9622 -1.6795 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3085 -0.4921 -0.3877 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4655 -1.3085 0.7397 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0360 -0.9260 1.9885 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5756 0.3098 2.1483 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7574 1.1562 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2993 0.7079 -0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3685 2.3963 1.2209 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0321 -0.6222 -3.6961 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2135 0.7139 -2.7393 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2583 -1.9404 -1.7366 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9444 -2.2622 0.5825 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1468 -1.5388 2.8703 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9300 0.6484 3.1247 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4529 1.3946 -1.0051 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4779 2.9733 0.4168 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