Monomers

1-Methoxy-3-vinylbenzene

Identifiers

IUPAC name
1-ethenyl-3-methoxybenzene
InchI
InChI=1S/C9H10O/c1-3-8-5-4-6-9(7-8)10-2/h3-7H,1H2,2H3
InchI Key
PECUPOXPPBBFLU-UHFFFAOYSA-N
SMILES
COc1cccc(c1)C=C
Canonical SMILES
COC1=CC=CC(=C1)C=C
Isomeric SMILES
COC1=CC=CC(=C1)C=C
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
2.3382
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
   -3.2049    1.0304    0.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8324    1.3624    0.4147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9174    0.3529    0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3452   -0.9032   -0.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4395   -1.8920   -0.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8868   -1.5831   -0.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3457   -0.3190   -0.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342    0.6346    0.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7878   -0.0770   -0.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2874    1.0686    0.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3813    0.7130   -0.7244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4003    0.1839    1.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8544    1.8795    0.5958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4122   -1.1412   -0.3589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8144   -2.8619   -0.9222 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6386   -2.3373   -0.7968 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7115    1.6297    0.4581 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4719   -0.8846   -0.3715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6818    1.9088    0.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3561    1.2355    0.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
  8  3  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  4 14  1  0
  5 15  1  0
  6 16  1  0
  8 17  1  0
  9 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers