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
    3.0638   -1.3162   -0.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6551    0.0002   -0.0259 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3441    0.4197    0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1300    1.7695    0.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1714    2.2040    0.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2557    1.3261    0.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0450   -0.0163    0.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2696   -0.4361    0.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1301   -0.9999    0.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3917   -0.6776    0.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2315   -1.8264    0.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3437   -1.9448   -0.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0052   -1.3075   -0.8337 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9317    2.4970    0.3392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3386    3.2509    0.5868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2587    1.7099    0.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4295   -1.5049   -0.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8939   -2.0607    0.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1747   -1.4251    0.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7446    0.3381    0.4452 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