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
    3.4391   -0.0400    0.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1677   -0.6320    0.4313 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9979   -0.0005    0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9587    1.3105   -0.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2284    1.9317   -0.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4036    1.2414   -0.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4097   -0.1030   -0.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2212   -0.6898    0.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6766   -0.7809   -0.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7737   -2.0260    0.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1377   -0.5008    1.1414 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8380   -0.1973   -0.6505 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4536    1.0335    0.5746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8768    1.9157   -0.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2774    2.9720   -0.9266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3679    1.7050   -0.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2130   -1.7377    0.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6202   -0.2644   -0.3086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9188   -2.6202    0.5901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7590   -2.5171    0.3591 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