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
3.0081 -0.2574 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0047 0.4270 -0.4064 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6041 0.1385 -0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2379 -0.8813 0.7664 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1060 -1.1342 1.0531 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1095 -0.3725 0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7452 0.6487 -0.3632 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4190 0.8843 -0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7227 1.4431 -0.9529 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8840 -1.0820 0.7721 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0150 0.0049 -0.1821 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2125 1.2427 -1.0842 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9602 -1.5040 1.2314 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3949 -1.9334 1.7223 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1638 -0.5753 0.7201 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1019 1.6932 -1.3135 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1633 1.2576 -1.8249 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