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
1.9233 -0.4671 -2.0120 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6235 -0.5250 -1.9150 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0483 -0.1973 -0.6734 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4404 -0.2318 -0.5961 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1247 0.0643 0.5465 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4088 0.4108 1.6673 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0328 0.4561 1.6299 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6442 0.1460 0.4394 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6465 0.8092 2.7787 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5300 -0.1808 -1.1955 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3948 -0.7188 -2.9539 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0588 -0.8274 -2.8004 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0075 -0.5017 -1.4694 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2194 0.0409 0.6228 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9185 0.6539 2.6020 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7108 0.2120 0.5226 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6684 0.8566 2.8064 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