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
2.7092 -0.9245 -0.4557 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0052 0.1607 -0.6568 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6121 0.2809 -0.2494 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0857 1.4696 -0.4937 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3983 1.5941 -0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0961 0.5841 0.5148 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3879 -0.5754 0.7441 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0696 -0.7338 0.3764 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0771 -1.6249 1.3862 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3438 -1.8152 0.0176 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7613 -0.9922 -0.7725 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4686 1.0006 -1.1419 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4275 2.2707 -0.9796 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9624 2.5248 -0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1365 0.7031 0.8073 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4389 -1.6565 0.5769 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5529 -2.2661 0.7408 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