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
    2.7363   -0.5738    1.7114 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4561    0.5200    0.8930 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2685    0.6435    0.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0218    1.7551   -0.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1735    1.8784   -1.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    0.9072   -1.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9248   -0.1939   -0.3399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2861   -0.2985    0.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9112   -1.2545   -0.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0652   -1.2208   -0.7632 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6220   -0.3581    2.3611 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030   -0.8289    2.4179 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9031   -1.4909    1.0940 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7984    2.5001   -0.6632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3666    2.7520   -1.8931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0960    1.0083   -1.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4890   -1.1616    0.9623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6543   -2.0811    0.4706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3973   -0.4414   -1.4119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7578   -2.0611   -0.5847 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