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
   -2.2438    1.8577   -0.9654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2967    0.4535   -0.8316 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2477   -0.3152   -0.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4039   -1.6739   -0.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3543   -2.4490    0.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8595   -1.9086    0.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0371   -0.5304    0.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0191    0.2336   -0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3144    0.0583    0.7985 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5671    1.3545    0.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6997    2.0689   -1.9091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6882    2.3504   -0.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2671    2.2640   -1.0929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3348   -2.1525   -0.5628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4537   -3.5359    0.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6849   -2.5243    0.8613 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0555    1.2933   -0.1128 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0909   -0.6227    1.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5657    1.7012    1.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8335    2.0773    0.4147 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