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
3.0215 0.0370 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9375 0.2835 0.6601 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5834 0.0460 0.1973 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3233 -0.4780 -1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9882 -0.7019 -1.4833 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0537 -0.3969 -0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7661 0.1288 0.5932 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4801 0.3502 1.0225 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8464 0.4383 1.4327 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9520 -0.3706 -1.0085 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0120 0.2314 0.3614 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0812 0.6994 1.6556 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1140 -0.7358 -1.7401 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1974 -1.1106 -2.4556 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0887 -0.5521 -0.9458 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3249 0.7709 2.0284 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2795 1.3603 1.4151 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