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
-2.9714 -0.2466 0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8624 -0.8631 -0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5485 -0.2704 0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3820 1.0421 0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8869 1.6365 0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9521 0.8545 0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8483 -0.4633 -0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5928 -1.0153 -0.3103 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9824 -1.2194 -0.6054 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9931 0.7811 0.5677 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9545 -0.7323 0.2205 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9411 -1.9182 -0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2366 1.6636 0.6522 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9740 2.6903 0.7341 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9423 1.3272 0.1422 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4267 -2.0390 -0.5928 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2840 -1.2276 -1.5712 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