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
   -3.1975   -0.9291    0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8480   -0.8485   -0.3500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0421    0.2507   -0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6513    1.3664    0.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031    0.1631   -0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2544    1.1882    0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6438    1.0334    0.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1869   -0.1778   -0.1688 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3509   -1.2302   -0.4721 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9732   -1.0648   -0.4204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2453   -0.8942    1.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5380   -1.9642   -0.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8495   -0.2023   -0.4184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1231    2.2912    0.5592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7442    1.3782    0.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8433    2.1458    0.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2426    1.8914    0.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2526   -0.3459   -0.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7802   -2.1678   -0.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3080   -1.8837   -0.6563 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