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
   -4.0526    0.6812    0.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9733   -0.0418   -0.0911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6515    0.2931    0.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4967    1.2343    1.0242 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5729   -0.4751   -0.3815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9351   -1.4503   -1.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8458   -0.2064   -0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8269   -0.6291   -0.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760   -0.3856   -0.7339 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5785    0.2883    0.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6155    0.7214    1.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2637    0.4647    0.9909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3139    0.1829    1.4213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8970    0.5970   -0.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7839    1.7341    0.5678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9880   -1.6349   -1.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1945   -2.0566   -1.6988 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5349   -1.1544   -1.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9204   -0.7286   -1.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6227    0.4775    0.5999 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9076    1.2564    2.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5673    0.8320    1.7390 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