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
   -2.9271    0.2444   -1.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6572   -0.3486   -1.6008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8407    0.0323   -0.5501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2470    0.9748    0.3641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4164    1.3450    1.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8180    0.8035    1.5811 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2445   -0.1545    0.6613 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4290   -0.5323   -0.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5644   -0.7351    0.8412 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0119   -1.6387    0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3900   -0.0555   -2.7052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9181    1.3408   -1.6810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5571   -0.1208   -0.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2359    1.4181    0.2399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846    2.0944    2.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4977    1.0590    2.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7278   -1.2752   -1.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1807   -0.4007    1.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0110   -2.0469    0.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4894   -2.0042   -0.8206 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