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
    2.7596    0.9674   -0.9577 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6815    0.1429   -1.3703 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0031   -0.6725   -0.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6054   -1.7622   -0.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3283   -0.2778   -0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8983    0.8891   -0.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1563    1.3204   -0.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8929    0.5629    0.8034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3432   -0.5978    1.2974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0857   -0.9930    0.8901 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5386    0.2772   -0.5354 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1244    1.5060   -1.8499 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4614    1.6681   -0.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5929   -2.0048   -0.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1852   -2.4664    0.6718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3087    1.4621   -1.1975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5464    2.2222   -0.5116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8695    0.8889    1.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8675   -1.2217    2.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6554   -1.9107    1.2831 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