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
2.9368 -0.0346 0.4867 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9054 0.6633 0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5442 0.1630 0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2596 -1.0997 0.4644 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0646 -1.5480 0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0824 -0.7606 -0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8121 0.4965 -0.4847 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4913 0.9647 -0.4516 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8088 1.3127 -0.9598 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8738 -1.0347 0.8614 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9233 0.4073 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0722 1.6969 -0.3193 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0132 -1.7447 0.8344 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2456 -2.5488 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0950 -1.1345 -0.0641 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2752 1.9553 -0.7979 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6535 2.2459 -1.2940 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