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
   -3.0491    1.0679    0.7617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6791    1.1040    0.4214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0367    0.0680   -0.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7449   -0.6994   -1.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3748   -0.0985   -0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0891   -1.0931   -0.6506 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4596   -1.2083   -0.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1331   -0.3529    0.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4089    0.6456    1.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0599    0.7734    0.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2911    0.2114    1.4341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6158    1.0420   -0.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2675    1.9845    1.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8223   -0.5672   -1.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3059   -1.5101   -1.5568 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6197   -1.8176   -1.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0182   -1.9918   -0.8974 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2175   -0.4585    0.6041 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9197    1.3243    1.7023 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5120    1.5763    1.3223 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