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
2.3283 -1.6457 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9279 -0.5317 0.6977 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6431 0.0445 0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2080 1.2311 0.9192 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9903 1.8309 0.6312 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7918 1.1863 -0.2975 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4151 0.0135 -0.8997 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1935 -0.5487 -0.5714 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2447 -0.6255 -1.8412 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8018 -2.2268 -0.5698 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3051 -2.0342 0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5318 0.0134 1.4392 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8547 1.7180 1.6452 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3294 2.7513 1.0781 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7571 1.6189 -0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0539 -1.4794 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9327 -1.3161 -1.5353 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