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
    4.0187    0.4605    0.7156 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9849   -0.0228   -0.1187 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6360    0.1447    0.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4797    0.7336    1.3549 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5591   -0.3488   -0.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9209   -0.9380   -1.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8558   -0.1748   -0.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2466   -0.0152    1.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5883    0.1706    1.3575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5011    0.1917    0.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1568    0.0358   -0.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8190   -0.1470   -1.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8914   -0.1919    0.6768 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6120    0.5838    1.7586 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3322    1.4862    0.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9615   -1.0301   -1.9563 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1537   -1.3179   -2.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230   -0.0425    1.8935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8900    0.2981    2.4066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5631    0.3368    0.5476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8981    0.0547   -1.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5085   -0.2675   -2.2736 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