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
   -3.3619    0.6974    0.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0072    0.8811    0.6463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9763    0.1754    0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1983   -0.8394   -0.8119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1240   -1.5468   -1.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1525   -1.2226   -0.9975 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4052   -0.1952   -0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3224    0.4798    0.4434 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7753    0.0900    0.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1569    1.0188    1.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9235    1.1739    1.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6738   -0.3615    0.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6850    1.2207   -0.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2207   -1.0675   -1.0776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3569   -2.3371   -2.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9578   -1.7827   -1.4375 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5229    1.2692    1.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5799   -0.5017   -0.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4503    1.6436    1.6013 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2046    1.2046    1.3285 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