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
    2.4905    1.5448    1.9988 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4832    0.9287    1.2189 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5765   -0.4260    0.9996 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5525   -1.0731    1.4984 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6014   -1.1281    0.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7344   -2.4100    0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5211   -0.4346   -0.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0682    0.6813    0.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1292    1.2951   -0.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6313    0.8329   -1.6685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0714   -0.2885   -2.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0302   -0.8987   -1.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0612    1.7728    3.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3844    0.9015    2.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7345    2.5018    1.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5679   -2.9523    0.4338 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0136   -2.9517   -0.5526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7170    1.0681    1.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5487    2.1862    0.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4460    1.3170   -2.1712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4509   -0.6872   -3.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5861   -1.7799   -2.0414 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