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
2.9566 -0.2466 -0.2472 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8191 -0.9035 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5486 -0.2112 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3963 1.1361 -0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8458 1.7671 0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9674 0.9783 0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8588 -0.4095 0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6173 -0.9742 0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0318 -1.1297 0.2776 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0345 0.8329 -0.2726 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9097 -0.7912 -0.3188 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8605 -1.9795 -0.1238 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2589 1.7700 -0.1379 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9165 2.8502 0.0284 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9227 1.4848 0.2228 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5339 -2.0424 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0901 -2.1318 0.2999 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