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
    2.9910   -0.9798    0.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6515    0.2869    0.1194 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3323    0.5610   -0.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0047    1.7941   -0.7267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3098    2.0355   -1.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3205    1.0894   -0.8547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -0.1263   -0.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3530   -0.3899   -0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9824   -1.1344   -0.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2393   -0.9526   -0.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6646   -1.7969   -0.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5574   -1.0930    1.6655 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1108   -1.0261    0.7276 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7445    2.5696   -0.8935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5608    3.0069   -1.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3134    1.3942   -1.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6255   -1.3595    0.3966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6894   -2.1080    0.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6472   -0.0443   -0.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0018   -1.7270   -0.2478 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