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
   -2.7361   -1.1841    0.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4670    0.1762    0.4554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966    0.6284    0.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.9641   -0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2678    2.4296   -0.4811 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3529    1.5921   -0.5532 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1814    0.2616   -0.2887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0946   -0.2053    0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3053   -0.6645   -0.3532 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2400   -1.9525   -0.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6754   -1.3310    1.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9251   -1.5195    1.4556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6141   -1.8336   -0.1509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8576    2.6351   -0.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342    3.4882   -0.6975 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3235    1.9728   -0.8130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2902   -1.2541    0.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2764   -0.2219   -0.6238 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1377   -2.5440   -0.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3333   -2.4377    0.1477 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