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
-2.6934 -0.7496 0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9741 0.3013 0.5207 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5593 0.3338 0.2494 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1459 1.4959 0.5837 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 1.5387 0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1529 0.4593 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4791 -0.6915 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1034 -0.7260 -0.3184 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1552 -1.7396 -1.1466 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3001 -1.6344 -0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7725 -0.7640 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4929 1.1505 0.9731 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4144 2.2964 1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0415 2.4556 0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2346 0.5229 -0.4366 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3732 -1.6371 -0.5958 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7672 -2.6123 -1.4262 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