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
-2.6967 0.9071 -0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0554 -0.2324 -0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6238 -0.3253 -0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0351 -1.5661 0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3377 -1.6809 0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0874 -0.5370 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5519 0.7272 -0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1534 0.8010 -0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3210 1.8789 -0.2199 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7966 0.9543 -0.1566 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2253 1.8701 -0.2355 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6696 -1.1359 0.0403 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6203 -2.4886 0.1724 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7781 -2.6760 0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1632 -0.6261 0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2306 1.8016 -0.2219 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5608 2.3283 0.6734 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