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
2.8007 -0.5896 -0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0117 0.4411 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5615 0.3704 0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1728 1.5241 0.2565 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5535 1.5193 0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2580 0.3504 0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5245 -0.8054 -0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1305 -0.8035 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1976 -1.9764 -0.3088 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4475 -1.5855 -0.2895 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8879 -0.4935 -0.1209 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5050 1.4144 0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3634 2.4520 0.4064 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1393 2.4180 0.4254 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3413 0.2992 0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4335 -1.7055 -0.2894 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6938 -2.8295 -0.4564 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