Monomers

Benzene, (1-methoxyethenyl)-

Identifiers

IUPAC name
1-methoxyethenylbenzene
InchI
InChI=1S/C9H10O/c1-8(10-2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InchI Key
SIZDIMDMQQFWLM-UHFFFAOYSA-N
SMILES
COC(=C)c1ccccc1
Canonical SMILES
COC(=C)C1=CC=CC=C1
Isomeric SMILES
COC(=C)C1=CC=CC=C1
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
2.3037
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
    2.7442   -1.3302    0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0052   -0.4600   -0.7990 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1826    0.5458   -0.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7413    1.6623    0.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2549    0.3354   -0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7977   -0.8847   -0.5671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1428   -1.1595   -0.4856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0237   -0.2356    0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5172    0.9671    0.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1455    1.2444    0.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0752   -1.9143    0.7148 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2660   -2.0572   -0.6083 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5187   -0.7824    0.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1898    2.4782    0.5497 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8064    1.7991    0.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0872   -1.6138   -0.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5508   -2.0999   -0.8195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0902   -0.4225    0.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1528    1.7307    0.8714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7665    2.1972    0.7179 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  4 14  1  0
  4 15  1  0
  6 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers