Monomers

Poly(2-((7-oxo-1,3,5-cycloheptatrien-1-yloxy)carbonyl)-2-methylethylene)

Identifiers

IUPAC name
(7-oxocyclohepta-1,3,5-trien-1-yl) 2-methylprop-2-enoate
InchI
InChI=1S/C11H10O3/c1-8(2)11(13)14-10-7-5-3-4-6-9(10)12/h3-7H,1H2,2H3
InchI Key
BHKQCZGFIQOMFC-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)Oc1cccccc1=O
Canonical SMILES
CC(=C)C(=O)OC1=CC=CC=CC1=O
Isomeric SMILES
CC(=C)C(=O)OC1=CC=CC=CC1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H10O3
Heavy Atom Count
14
Molecular Weight
190.198
Exact Molecular Weight
190.063
Valence Electrons
72
Radical Electrons
0
tPSA
43.37
MolLogP
1.5283
H Bond Acceptors
3
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

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.0681   -0.3624   -1.1292 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4570   -0.1728    0.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8773   -0.2251    0.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3227   -0.0331    1.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8694   -0.4910   -0.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4873    0.0702    1.0035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8564    0.1058    0.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5742   -1.0667    0.7091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8109   -1.3528    0.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6399   -0.4610   -0.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5293    0.9240   -0.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5191    1.7707   -0.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2979    1.3606    0.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4591    2.3157    0.4188 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6191    0.1692    2.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3534   -0.0612    1.8471 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6468   -1.2011   -0.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4363   -0.8911   -1.6339 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4192    0.4751   -0.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0920   -1.8848    1.2661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1809   -2.3695    0.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5050   -0.8645   -1.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3551    1.4260   -1.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7369    2.8199   -0.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  2  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13  7  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
  5 19  1  0
  8 20  1  0
  9 21  1  0
 10 22  1  0
 11 23  1  0
 12 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers