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
   -2.7871   -1.3210    0.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6285   -1.3155   -0.2205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0965   -0.0877   -0.5867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9003    0.7853   -1.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3149    0.1366   -0.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0730   -0.8763    0.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116   -0.7379    0.5603 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0269    0.4476    0.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3467    1.4846   -0.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9958    1.2965   -0.6244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6047   -0.7879    0.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5413   -0.7761    1.5670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0728   -2.3451    0.9069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5053    1.7455   -1.4359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9459    0.5412   -1.3078 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5880   -1.8057    0.5368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0014   -1.5079    1.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0922    0.6013    0.4374 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104    2.4326   -0.6310 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4215    2.0900   -1.0921 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