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
2.8732 0.8434 -0.2947 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0611 0.1449 0.4573 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6545 0.0542 0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0933 0.6781 -0.9554 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2775 0.5587 -1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0598 -0.1978 -0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5381 -0.8404 0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1892 -0.7018 0.9587 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3648 -1.5990 1.5576 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9294 0.8915 -0.0225 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6159 1.3938 -1.1782 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4509 -0.3638 1.3231 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6797 1.2775 -1.6366 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6886 1.0663 -2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1149 -0.2882 -0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2156 -1.2140 1.8344 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3406 -1.7036 1.3935 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