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
-2.8351 0.5540 -0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0306 -0.4649 0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5785 -0.3950 0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1438 -1.5507 0.2972 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5162 -1.4623 0.2542 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1562 -0.2839 -0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4641 0.8796 -0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0652 0.7880 -0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0956 2.0861 -0.5670 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9047 0.4599 -0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4185 1.5134 -0.3608 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5066 -1.4391 0.3154 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3450 -2.4953 0.5213 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0652 -2.3734 0.4535 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2365 -0.2305 -0.0561 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4497 1.7126 -0.4393 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3259 2.7015 0.2249 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