Monomers

Methyl 2-phenylacrylate

Identifiers

IUPAC name
methyl 2-phenylprop-2-enoate
InchI
InChI=1S/C10H10O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InchI Key
GQTXKEVAUZYHGE-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)c1ccccc1
Canonical SMILES
COC(=O)C(=C)C1=CC=CC=C1
Isomeric SMILES
COC(=O)C(=C)C1=CC=CC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H10O2
Heavy Atom Count
12
Molecular Weight
162.188
Exact Molecular Weight
162.0681
Valence Electrons
62
Radical Electrons
0
tPSA
26.3
MolLogP
1.8728
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

 22 22  0  0  0  0  0  0  0  0999 V2000
    3.5737    0.6806   -0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1850    0.4037   -0.0301 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.8511   -0.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311   -1.7702   -0.3907 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2599   -1.2342   -0.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1084   -2.4953   -0.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7744   -0.2511    0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897    1.0795   -0.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5955    2.0211    0.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7732    1.5736    0.5839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9855    0.2468    0.8543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9928   -0.6527    0.5981 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7278    1.7761   -0.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0473    0.2498    0.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0482    0.2553   -1.0061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0986   -2.8801   -0.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7013   -3.2108   -0.4800 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3236    1.4635   -0.6114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4304    3.0762   -0.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5747    2.2858    0.7930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9429   -0.0638    1.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1856   -1.7027    0.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  6 16  1  0
  6 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers