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
    4.0480    0.4015   -0.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8873   -0.3681   -0.4426 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6541    0.1863   -0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6749    1.3774    0.2361 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4741   -0.6452   -0.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6432   -1.8998   -0.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8484   -0.1506    0.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8593   -1.0531    0.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1442   -0.6449    0.6227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4368    0.7023    0.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4672    1.6377    0.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1635    1.1911    0.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9213   -0.2732   -0.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9240    1.0363    0.5982 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2058    1.1108   -1.1509 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6470   -2.2821   -0.8972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1293   -2.6273   -0.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6021   -2.0928    0.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9312   -1.3358    0.8557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4262    1.0843    0.8221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6514    2.6887    0.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4201    1.9567   -0.2084 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