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
   -1.1488    1.1588   -0.6104 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5120    0.0988   -0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9143   -0.2831    0.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2933   -1.3915    0.6875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9452    0.6206   -0.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4828   -0.7061    0.4615 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8537   -0.3431    0.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4352    0.4144    1.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6114    1.1302    1.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296    1.0008    0.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7286    0.0349   -0.7088 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7507   -0.8049   -1.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4259   -0.8250   -0.8341 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6315   -1.3592   -1.6441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5549   -2.0752    1.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3479   -1.6067    0.7489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2851    1.3739    0.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8595    0.0556   -0.7935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5410    1.0880   -1.3935 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9041    0.4203    2.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7396    1.8979    1.9352 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4171    1.7228    0.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -0.1363   -1.1536 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0404   -1.4858   -2.0253 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