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
   -3.1997   -0.7680   -0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6480    0.5545   -0.0076 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2698    0.7198   -0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    1.9832    0.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6287    2.1652    0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4388    1.0411   -0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9535   -0.2338   -0.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4303   -0.3668   -0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8341   -1.3796   -0.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1371   -1.3303   -0.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2929   -0.7174   -0.2551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7015   -1.2948   -0.9724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9187   -1.3140    0.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3631    2.8748    0.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0733    3.1709    0.1064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5088    1.2592   -0.1029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8036   -1.3875   -0.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3937   -2.3924   -0.3855 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7582   -2.2049   -0.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346   -0.3792   -0.2796 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