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
    3.2691    0.2017    0.8727 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9472   -0.0372    1.2586 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9520    0.0533    0.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2319    0.3664   -1.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2444    0.4539   -1.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0503    0.2153   -1.5702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3854   -0.1042   -0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3660   -0.1811    0.6549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7677   -0.3399    0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1373   -0.6463    1.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9807   -0.0434    1.7096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4064    1.2643    0.6138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4939   -0.4807    0.0119 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2752    0.5463   -1.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5015    0.7029   -2.9883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8429    0.2841   -2.3274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5465   -0.4239    1.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5290   -0.2637   -0.7021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1999   -0.8216    1.5286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4772   -0.7461    2.1255 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