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
    2.8698    0.6506   -0.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1326    0.0736    0.5680 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0761   -0.7920    0.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3081   -2.0641    0.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2656   -0.2429    0.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4052   -0.9826    0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6600   -0.4099   -0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8426    0.9448    0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7162    1.6965    0.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4677    1.1415    0.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1913    1.2452   -1.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2911   -0.1578   -1.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7053    1.2386   -0.1064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3303   -2.4135    0.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5283   -2.7620    0.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3036   -2.0705   -0.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5227   -1.0291   -0.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8203    1.4168   -0.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8478    2.7710    0.3744 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4191    1.7460    0.5412 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