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
    1.0729   -1.8249   -0.4488 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4769   -0.6402   -0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9074   -0.3891   -0.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7409   -1.3680   -0.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4564    0.9940   -0.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5949    0.3676   -0.0460 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7483    0.1690    0.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0990   -0.0911    1.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3706   -0.1799    2.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5589   -0.2358    1.3767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566   -0.4182    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8647   -0.1501   -1.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5452    0.2589   -0.9447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0626    0.7466   -1.9974 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3222   -2.3844   -0.9521 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7880   -1.1752   -1.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9103    1.6059    0.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3814    1.4733   -1.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5446    0.9671   -0.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3200   -0.2542    2.2144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4396   -0.2078    3.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4387   -0.1206    1.9979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7186   -0.8123   -0.2469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2730   -0.2841   -1.9984 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