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
    3.1317    0.2947    0.8075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6165   -0.6345   -0.1566 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2476   -0.6511   -0.4013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7406   -1.5386   -1.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6178   -1.5315   -1.5452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4719   -0.6637   -0.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9733    0.2259    0.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4021    0.2037    0.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8241    1.1570    0.7934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1164    1.2511    0.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2319    0.3649    0.7361 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8367   -0.0224    1.8243 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7573    1.3332    0.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4367   -2.1917   -1.8254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0234   -2.2279   -2.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5522   -0.6880   -1.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8075    0.9114    1.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3233    1.8233    1.5067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6641    1.9634    1.2475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6421    0.6208   -0.0175 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