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
   -3.0391   -1.0252   -0.6507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7864   -1.0472   -0.0222 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0795    0.1092    0.3237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7028    1.1651    0.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3476    0.1102    0.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9898   -1.0379   -0.2845 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3467   -1.0485   -0.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1349    0.0292   -0.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5192    1.1562    0.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1181    1.1923    0.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7447   -0.4849    0.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3390   -2.0722   -0.8332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9821   -0.5362   -1.6528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1977    2.0551    1.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7778    1.1472    0.8575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3754   -1.9160   -0.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8177   -1.9492   -0.7852 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2101    0.0073   -0.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0783    2.0412    0.6165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7115    2.1042    0.8655 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