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
2.6672 -1.0575 -0.2501 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0427 0.0878 -0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6043 0.2825 -0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0485 1.5378 -0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2977 1.7499 -0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1441 0.7180 0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5771 -0.5333 0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2247 -0.7686 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4214 -1.6130 0.6768 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7286 -1.1262 -0.4112 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1188 -1.9420 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6539 0.9569 -0.6001 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6646 2.3982 -0.5276 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7557 2.7444 -0.1934 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2134 0.8810 0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1453 -1.7862 0.2886 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0399 -2.5296 0.7748 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