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
2.6194 -1.1783 0.1272 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1111 0.0088 0.3426 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6919 0.2460 0.1371 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1299 1.5092 0.3624 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2129 1.7430 0.1704 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0686 0.7482 -0.2518 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5363 -0.5026 -0.4794 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1779 -0.7351 -0.2842 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4045 -1.5010 -0.9049 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6930 -1.3007 0.2976 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1118 -2.0600 -0.1996 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7292 0.8512 0.6799 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7880 2.3055 0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6605 2.7175 0.3416 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1280 0.9210 -0.4063 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1561 -1.7286 -0.4816 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8416 -2.0440 -0.1464 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