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
    3.0850    0.7548   -0.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9673    0.6297    0.3879 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0634   -0.4144    0.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5394   -1.6422    0.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3558   -0.1478    0.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7910    1.1780    0.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1183    1.5293    0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0564    0.5210    0.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6939   -0.8025    0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3343   -1.1023    0.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6460    1.6718   -0.1943 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7416   -0.1145   -0.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8190    0.7640   -1.5317 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124   -1.8506    0.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9164   -2.5206    0.2549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0472    1.9574    0.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4160    2.5893    0.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1149    0.7461   -0.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4130   -1.6026   -0.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0496   -2.1440    0.1230 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