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
   -2.9477    0.7986   -0.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0728    0.0969    0.7488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0753   -0.7286    0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4366   -1.8803   -0.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3216   -0.2775    0.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3581   -1.0101   -0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6681   -0.5220   -0.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9332    0.7197    0.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9049    1.4802    0.8069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6264    0.9670    0.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5434    0.1346   -0.7536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4305    1.5185   -0.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6571    1.3739    0.5511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7492   -2.6009   -0.7118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -2.2012   -0.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1779   -1.9785   -0.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4968   -1.0783   -0.6281 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9548    1.1182    0.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1049    2.4685    1.2403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1633    1.6012    1.1704 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