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
    2.9500    0.4771   -0.4865 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0461    0.3445    0.5939 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0466   -0.6169    0.4653 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3323   -1.8758    0.6169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3034   -0.1475    0.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3944   -0.9674    0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6753   -0.4915   -0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8592    0.8659   -0.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7854    1.7153   -0.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5431    1.2197    0.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3921    0.7520   -1.4223 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6232    1.3311   -0.2765 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5039   -0.4778   -0.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5887   -2.6338    0.5245 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3320   -2.2460    0.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2489   -2.0518    0.1123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958   -1.1884   -0.4034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8422    1.2944   -0.6590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9525    2.7897   -0.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2855    1.9072    0.1233 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