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
   -3.3319   -0.5694   -0.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5821    0.5584    0.0294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2219    0.6505    0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6645    1.8736    0.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7038    2.0318    0.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5797    0.9959    0.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0429   -0.2303   -0.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3485   -0.3783   -0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8626   -1.3958   -0.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1684   -1.3482   -0.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7755   -0.5248   -1.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7959   -1.5204   -0.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2151   -0.5868    0.4103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3272    2.7198    0.6423 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1493    3.0003    0.7933 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6551    1.1215    0.3408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7827   -1.3403   -0.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3753   -2.3191   -0.6127 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7678   -0.4905   -0.0531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7404   -2.2480   -0.5208 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