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
    2.8717    0.6729   -0.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0597    0.1911    0.7039 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0100   -0.7018    0.4453 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3284   -1.9804    0.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3142   -0.2207    0.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5346    1.1630    0.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7855    1.6718   -0.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8380    0.8285   -0.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5959   -0.5212   -0.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3501   -1.0707   -0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4043   -0.1362   -0.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3046    1.2393   -1.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6488    1.3332    0.1289 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5503   -2.7018    0.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3529   -2.3118    0.7197 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3016    1.8360    0.3355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9040    2.7505   -0.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7981    1.2678   -0.6148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4334   -1.1784   -0.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2784   -2.1311   -0.1081 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