Monomers

1-Methoxy-3-vinylbenzene

Identifiers

IUPAC name
1-ethenyl-3-methoxybenzene
InchI
InChI=1S/C9H10O/c1-3-8-5-4-6-9(7-8)10-2/h3-7H,1H2,2H3
InchI Key
PECUPOXPPBBFLU-UHFFFAOYSA-N
SMILES
COc1cccc(c1)C=C
Canonical SMILES
COC1=CC=CC(=C1)C=C
Isomeric SMILES
COC1=CC=CC(=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10O
Heavy Atom Count
10
Molecular Weight
134.178
Exact Molecular Weight
134.0732
Valence Electrons
52
Radical Electrons
0
tPSA
9.23
MolLogP
2.3382
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -3.0620   -1.0761   -0.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6564    0.1800   -0.6191 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3232    0.5162   -0.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8410    1.7113   -1.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4751    2.0514   -0.9771 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3710    1.1267   -0.4254 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9372   -0.0821    0.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4062   -0.3643   -0.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8568   -1.0313    0.6157 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1448   -0.7948    0.7071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4475   -1.8767   -0.6233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8335   -1.1402    0.9639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1420   -1.2357   -0.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5418    2.4267   -1.4546 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8877    2.9768   -1.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4258    1.4241   -0.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7400   -1.3424    0.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448   -1.9853    0.9801 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7796   -1.5691    1.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6708    0.0847    0.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  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
  9 10  2  3
  8  3  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  4 14  1  0
  5 15  1  0
  6 16  1  0
  8 17  1  0
  9 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers