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
   -4.0030    1.1052    0.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9696    0.1385    0.4823 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6524    0.4315    0.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3895    1.5773   -0.1911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6133   -0.5503    0.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9415   -1.7582    0.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7906   -0.2806    0.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7915   -1.0764    0.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1318   -0.9019    0.4029 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5586    0.1121   -0.4112 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6013    0.9222   -0.9739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2321    0.7333   -0.7355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9909    0.6306    0.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9872    1.7858    1.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7595    1.6999   -0.5667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0101   -1.9204    0.9970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2847   -2.5833    0.9388 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5252   -1.8878    1.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8697   -1.5746    0.8737 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6186    0.2444   -0.5851 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9305    1.7413   -1.6303 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5518    1.4113   -1.2273 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