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
    3.2367   -1.3880   -1.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9757   -0.8770   -0.6567 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8782    0.2918    0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0020    0.8600    0.2958 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6717    0.9537    0.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8201    2.0947    1.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6637    0.3897    0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9268   -0.5805   -0.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1985   -1.1240   -0.8871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2503   -0.6789   -0.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0201    0.2887    0.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7493    0.8135    1.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8566   -0.4903   -1.3197 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7221   -1.9730   -0.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0704   -2.0005   -1.9543 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8185    2.4712    1.3222 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0015    2.6747    1.5364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1404   -0.9705   -1.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698   -1.8869   -1.6336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2607   -1.0774   -0.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8657    0.6375    1.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6084    1.5715    1.7629 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