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
   -2.5948    0.8024    1.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2563    0.4419   -0.1649 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1760   -0.0035   -0.8362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3980   -0.3876   -2.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1923   -0.1064   -0.3362 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2782   -0.2339   -1.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5570   -0.3479   -0.6734 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8131   -0.3412    0.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7568   -0.2163    1.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4592   -0.1008    1.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9989    1.6630    1.5207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6514    1.2542    1.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6892   -0.0363    1.8154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4376   -0.2940   -2.4465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6820   -0.7694   -2.7794 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0970   -0.2332   -2.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3883   -0.4463   -1.3542 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8229   -0.4324    1.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8832   -0.2030    2.6234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3639   -0.0093    1.7137 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