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
    4.0928   -0.6005    0.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8402   -0.8676   -0.3462 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517   -0.2774    0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7646    0.5067    1.0542 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3775   -0.5640   -0.5333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3492   -1.4008   -1.5519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8556    0.0512   -0.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0714    0.5877    1.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2784    1.1908    1.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3160    1.2739    0.6056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1320    0.7467   -0.6519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9283    0.1502   -0.9913 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0228   -0.4177    1.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7187   -1.5028    0.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6252    0.2473   -0.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4910   -1.7148   -2.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3108   -1.8367   -1.8696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2920    0.5349    1.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4162    1.6014    2.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2420    1.7485    0.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9403    0.7996   -1.3848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7905   -0.2567   -1.9890 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