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
    3.9151   -1.1091   -0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8169   -0.3850   -0.6596 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5563   -0.4582   -0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4975   -1.2018    0.9573 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4973    0.3172   -0.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7237    1.0590   -1.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8288    0.3078   -0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6895    1.3870   -0.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9463    1.3266    0.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3570    0.2160    1.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5036   -0.8448    1.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -0.8108    0.6555 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6089   -1.2763   -1.0251 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4238   -0.4370    0.5914 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6342   -2.0487    0.3461 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7095    1.0869   -2.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    1.6381   -2.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3383    2.2531   -0.7414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6092    2.1775    0.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3686    0.2209    1.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8177   -1.7258    1.7434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6410   -1.6922    0.8109 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