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
    1.1221   -0.1824   -1.4522 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5108    0.0387   -0.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9162    0.1289    0.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3286    0.3588    1.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9191   -0.0416   -1.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5268    0.1924    0.6966 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7922    0.1018    0.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4086    1.2722   -0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7551    1.4340   -0.2617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7530    0.4925   -0.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6949   -0.8911   -0.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5563   -1.6181   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3156   -1.1928    0.4451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6037   -2.0731    0.9766 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5907    0.4832    2.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3539    0.4339    1.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5199    0.2678   -2.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8114    0.5557   -0.7577 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2036   -1.1316   -1.0159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8022    2.1674   -0.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0624    2.4843   -0.3841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7607    0.8456   -0.5828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6283   -1.4454   -0.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6701   -2.6813   -0.1582 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