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
   -3.5683    0.0078   -0.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2863   -0.0695   -1.0952 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1169   -0.0159   -0.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1814    0.1205    1.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0293    0.1749    1.7557 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    0.0900    1.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690   -0.0472   -0.2526 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0848   -0.0992   -0.9819 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5401   -0.1390   -0.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6954   -0.0974   -0.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6724   -0.5466    0.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7916    1.0876   -0.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2934   -0.4559   -1.2465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1385    0.1897    1.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0325    0.2823    2.8354 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1205    0.1354    1.7323 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1972   -0.2081   -2.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5477   -0.2464   -2.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6462   -0.1701   -0.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7982    0.0069    0.7318 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