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
-2.9211 -0.1894 0.5174 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8465 -0.8930 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5712 -0.2416 0.0552 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4330 1.1164 0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8136 1.6975 -0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9122 0.8947 -0.4228 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8052 -0.4788 -0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5746 -1.0266 -0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9472 -1.2696 -0.6442 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9688 0.9005 0.5364 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8600 -0.7576 0.6969 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9327 -1.9890 0.3073 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2650 1.7725 0.2084 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8949 2.7618 -0.2074 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8960 1.3181 -0.6123 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4778 -2.0942 -0.1664 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4768 -1.5218 0.1822 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