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
    3.3007   -0.6883   -0.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9577   -0.7200   -1.0272 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9143   -0.3273   -0.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2402    0.1160    1.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1982    0.4990    1.8913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0926    0.4346    1.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4101   -0.0178    0.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3686   -0.3974   -0.6463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7999   -0.0605   -0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1437   -0.4721   -1.4308 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021   -0.6629   -1.6151 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5691   -1.5834   -0.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5895    0.2635   -0.1336 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2771    0.1640    1.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552    0.8522    2.8983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8885    0.7513    2.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276   -0.7567   -1.6491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5611    0.2640    0.4657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4217   -0.7938   -2.1464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1902   -0.4884   -1.6950 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