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
2.7080 1.0163 -0.2206 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0570 -0.1161 -0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6239 -0.2722 -0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0507 -1.5521 0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3041 -1.7451 0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1085 -0.6208 0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5591 0.6408 -0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1781 0.8395 -0.0922 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3786 1.7508 -0.0515 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1859 1.9526 -0.2502 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7987 1.0684 -0.2683 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6855 -1.0255 -0.1082 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7067 -2.4064 0.0482 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7221 -2.7470 0.1665 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1915 -0.7817 0.1198 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2355 1.8337 -0.1634 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6100 2.1648 0.8514 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