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
2.5046 1.2786 0.2561 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0274 0.1743 -0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6273 -0.1833 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2062 -1.3960 -0.7605 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1170 -1.7255 -0.7157 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0631 -0.9081 -0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6431 0.2802 0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2888 0.6488 0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5507 1.1371 1.0091 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8669 1.9893 0.7302 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5608 1.5209 0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7294 -0.5145 -0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9664 -2.0294 -1.2146 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4220 -2.6791 -1.1623 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1100 -1.2206 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0377 1.6127 0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2567 2.0146 1.4178 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