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
    3.5910   -0.0777   -0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4591   -0.1297    0.7295 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1555   -0.0604    0.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0070    0.0638   -1.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2742    0.1370   -1.6945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4013    0.0866   -0.8931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2321   -0.0366    0.4558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0508   -0.1106    1.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3585   -0.0943    1.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5857   -0.0334    0.9108 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4789    0.0389    0.5551 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6551   -1.0125   -0.7010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5244    0.8117   -0.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8844    0.1025   -1.7583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3722    0.2343   -2.7667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3453    0.1500   -1.4076 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1825   -0.2087    2.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1897   -0.1940    2.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8184    0.0632   -0.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4113   -0.0798    1.6049 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