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
2.9014 -0.6892 -0.3932 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9524 0.1889 -0.6043 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5672 0.0289 -0.2051 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1349 -1.1047 0.4513 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2101 -1.2382 0.8282 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1006 -0.2325 0.5407 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6759 0.9030 -0.1149 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3550 1.0314 -0.4837 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5488 1.9267 -0.4153 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9067 -0.4764 -0.7303 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7376 -1.6514 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2441 1.1118 -1.1248 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8257 -1.9052 0.6843 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5672 -2.1208 1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1497 -0.3606 0.8464 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0189 1.9084 -1.0007 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6817 2.6798 0.2602 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