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
    3.5349   -0.5907    0.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2514   -1.1861    0.3374 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1093   -0.4250    0.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2342    0.9243   -0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1291    1.7208   -0.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1338    1.1221   -0.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3119   -0.2161   -0.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1489   -0.9739    0.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6084   -0.8777   -0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7444   -0.2550   -0.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3227   -1.2667    0.6395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6764   -0.1888   -0.7081 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5722    0.2906    1.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2442    1.3630   -0.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1971    2.7872   -0.4608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0058    1.7475   -0.4217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2293   -2.0514    0.3299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6399   -1.9502    0.1633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7614    0.8021   -0.3708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6877   -0.7759   -0.1618 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