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
2.8616 -0.5043 -0.0802 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0376 0.4443 0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5980 0.3574 0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1974 1.4345 0.5372 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5707 1.3861 0.4244 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2147 0.2802 -0.0881 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4369 -0.7833 -0.4872 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0397 -0.7344 -0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0429 -1.9345 -1.0164 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4957 -1.4177 -0.4925 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9255 -0.3895 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4959 1.3554 0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3246 2.2900 0.9353 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1583 2.2393 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2998 0.2450 -0.1759 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5208 -1.5987 -0.7018 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2993 -2.6699 -0.3545 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