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
   -3.4694   -0.4195    0.7316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1364   -0.7886    1.0673 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0938   -0.1663    0.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3040    0.7909   -0.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2667    1.4103   -1.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0425    1.0446   -0.9027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3109    0.0987    0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2117   -0.4868    0.6866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6538   -0.2995    0.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7239    0.2134   -0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2109   -1.0408    1.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5628   -0.4971   -0.3864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5755    0.6556    0.9777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3355    1.0718   -0.8262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4529    2.1597   -1.9951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8551    1.5265   -1.4199 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3926   -1.2447    1.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7986   -1.0563    1.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6933    0.9692   -0.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7254   -0.0997    0.1517 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