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
    2.9036   -0.5998   -0.7017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8896   -1.1238    0.1287 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0010   -0.2788    0.8305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3651    0.2730    1.9537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3228   -0.0335    0.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6878   -0.6406   -0.9277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9278   -0.4306   -1.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8614    0.3757   -0.8612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5156    0.9727    0.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2476    0.7683    0.8926 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4463   -1.4718   -1.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6521   -0.0063   -0.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4969   -0.0413   -1.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7244    0.9108    2.5046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3503    0.0802    2.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0457   -1.2610   -1.3863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2139   -0.9072   -2.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8394    0.5188   -1.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2255    1.6204    0.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0330    1.2747    1.8397 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