Monomers

Ethenyl 3-phenyl-2-propenoate

Identifiers

IUPAC name
ethenyl 3-phenylprop-2-enoate
InchI
InChI=1S/C11H10O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h2-9H,1H2
InchI Key
WGXGKXTZIQFQFO-UHFFFAOYSA-N
SMILES
C=COC(=O)C=Cc1ccccc1
Canonical SMILES
C=COC(=O)C=CC1=CC=CC=C1
Isomeric SMILES
C=COC(=O)C=CC1=CC=CC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H10O2
Heavy Atom Count
13
Molecular Weight
174.199
Exact Molecular Weight
174.0681
Valence Electrons
66
Radical Electrons
0
tPSA
26.3
MolLogP
2.3865
H Bond Acceptors
2
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

 23 23  0  0  0  0  0  0  0  0999 V2000
    5.6123    0.1525    0.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5113   -0.0496   -0.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2444    0.0884    0.2297 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0869   -0.1224   -0.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2411   -0.4550   -1.7132 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7461    0.0218    0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3028   -0.1908   -0.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6711   -0.0743   -0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7426   -0.3117   -1.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0481   -0.2123   -0.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3061    0.1415    0.6481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833    0.3906    1.5221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9585    0.2811    1.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5990    0.0438   -0.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5770    0.4394    1.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5824   -0.3349   -1.3477 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7020    0.3067    1.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1685   -0.4788   -1.7279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5195   -0.5928   -2.0714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8388   -0.4135   -1.3511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3480    0.2148    0.9454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5309    0.6681    2.5369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1842    0.4876    1.8115 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  6 17  1  0
  7 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
 13 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers