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
   -2.8037   -1.1193   -0.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9493   -0.2655   -0.9157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0859    0.6411   -0.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6054    1.8021    0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3084    0.2878   -0.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7176   -0.9767   -0.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0251   -1.3349   -0.3448 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9172   -0.4650    0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5513    0.7878    0.6672 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.1481    0.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2069   -1.7958    0.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3804   -1.7095   -0.9323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4696   -0.4769    0.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6631    2.0346   -0.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9945    2.5340    0.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0146   -1.6392   -0.9906 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3114   -2.3296   -0.6831 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9596   -0.7525    0.3892 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2515    1.4823    1.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9145    2.1471    0.8120 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