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
    2.9526   -1.4691    0.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6574   -0.1029    0.4099 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3586    0.3633    0.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0844    1.7002    0.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1693    2.2340    0.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2007    1.3636    0.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0070    0.0258   -0.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3052   -0.4441   -0.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0784   -0.8821   -0.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3235   -0.5324   -0.7431 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0455   -1.6471   -0.8974 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9308   -1.6573    0.7279 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1925   -2.1335    0.6489 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8977    2.3568    0.7562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3979    3.2800    0.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2057    1.7651   -0.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4755   -1.5034   -0.2545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8207   -1.9284   -0.7483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6225    0.4819   -0.5977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0746   -1.2704   -1.0220 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