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
    2.8382    1.2161    0.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8628    0.7346   -0.7670 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0897   -0.3763   -0.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6456   -1.5532   -0.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3116   -0.2615   -0.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1605   -1.2986    0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4713   -1.0951    0.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9776    0.1721    0.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1518    1.2474    0.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8466    1.0295   -0.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3062    2.1187   -0.2930 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6344    0.4479    0.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3822    1.5074    1.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7093   -1.6766   -0.8941 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1174   -2.4716   -0.4734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7935   -2.3248   -0.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1610   -1.9336    0.5663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0111    0.3955    0.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5107    2.2614    0.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1902    1.8608   -0.2979 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