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
    4.1364    0.4320   -0.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9348   -0.1156    0.3992 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6933    0.1932   -0.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6771    0.9654   -1.1078 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4991   -0.3820    0.4615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6673   -1.1911    1.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8592   -0.1377   -0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8839   -1.0004    0.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1894   -0.7890   -0.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4989    0.3146   -0.9038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5021    1.1997   -1.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    0.9569   -0.7913 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9090    0.5518    0.6349 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5563   -0.2891   -0.8902 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9558    1.4340   -0.5848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1559   -1.6395    1.9658 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6849   -1.3972    1.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7378   -1.8927    0.8743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0016   -1.4597    0.1021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5162    0.4996   -1.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7227    2.0830   -1.8445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4465    1.6638   -1.0583 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