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
   -3.2218    0.4971    0.7334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8444    0.6209    0.5582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0530   -0.1977   -0.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5978   -1.0699   -1.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3915   -0.0658   -0.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2950   -0.8184   -0.8409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6743   -0.6501   -0.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2009    0.2869    0.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3002    1.0420    0.8642 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9431    0.8868    0.7479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5488   -0.4488    1.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5505    1.3538    1.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7204    0.5788   -0.2677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6842   -1.1278   -1.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0812   -1.7500   -1.6568 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8996   -1.5701   -1.5301 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3295   -1.2724   -1.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2659    0.4315    0.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7420    1.7837    1.5432 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2603    1.4894    1.3208 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