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
   -3.1474   -1.1149    0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6777    0.1406   -0.2737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3219    0.4719   -0.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9006    1.7218   -0.6599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4193    2.1030   -0.6787 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3966    1.1813   -0.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0080   -0.0835    0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3514   -0.4252    0.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0041   -1.0561    0.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2803   -0.8036    0.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2975   -1.1111    1.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4801   -1.9187   -0.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1815   -1.2634   -0.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6584    2.4309   -0.9625 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7364    3.0993   -0.9888 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4169    1.5257   -0.3174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6068   -1.4251    0.4275 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6490   -2.0407    0.8234 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7211    0.1335    0.2613 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9915   -1.5659    0.8579 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