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
2.9638 -0.2430 0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8400 -0.9111 0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5563 -0.2177 -0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4554 1.1388 -0.3443 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8078 1.6822 -0.5121 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9491 0.9156 -0.4864 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8164 -0.4388 -0.2856 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5914 -1.0191 -0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9617 -1.2540 -0.2532 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0271 0.8083 -0.1112 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8879 -0.7842 0.1754 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8283 -1.9871 0.1958 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3463 1.7458 -0.3656 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9189 2.7424 -0.6698 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9450 1.3038 -0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5080 -2.0854 0.0413 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4067 -1.3964 0.6631 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