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
    3.5397    0.1354    0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149   -0.6621    0.5025 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1568   -0.1853    0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0407    1.0835   -0.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1860    1.6020   -0.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3182    0.8024   -0.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2358   -0.4564    0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0286   -0.9477    0.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3838   -1.3171    0.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5943   -0.9331   -0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6941    0.3767   -0.7822 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3437    1.1154    0.8125 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4596   -0.2582    0.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9303    1.6815   -0.5443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2545    2.5852   -1.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2844    1.2132   -0.8082 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1259   -1.9422    0.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2381   -2.3193    0.6941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8145    0.0202   -0.4698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4248   -1.5942    0.1473 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