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
    3.5653    0.2977    0.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3045    0.8320    0.7253 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1107    0.2217    0.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1679   -0.9732   -0.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0569   -1.5074   -0.6411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2598   -0.9185   -0.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2921    0.2730    0.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0508    0.8291    0.7022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5127    0.9558    0.7527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6871    0.4591    0.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8568   -0.4509    1.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3298    1.1221    0.5166 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6439   -0.0838   -0.6106 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1120   -1.4310   -0.5775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0721   -2.4528   -1.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2076   -1.4030   -0.6007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0966    1.7816    1.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4373    1.8943    1.2929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5945    1.0177    0.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8235   -0.4635   -0.0752 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