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
-2.6676 0.8296 -0.4892 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9945 -0.2799 -0.5446 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5745 -0.3091 -0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1192 -1.5329 -0.3109 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4522 -1.6158 -0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1007 -0.4557 0.3198 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4525 0.7541 0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0809 0.8393 0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1121 1.9222 0.7569 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7393 0.8408 -0.7218 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2347 1.7582 -0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5261 -1.1968 -0.8286 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4567 -2.4254 -0.6001 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9743 -2.5746 -0.0952 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1558 -0.5078 0.5412 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3796 1.8254 0.1937 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1252 2.1285 1.7638 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