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
    4.0018    1.0484   -0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9724    0.1062    0.1262 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6286    0.4722    0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4316    1.6765   -0.2584 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6037   -0.5337    0.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0144   -1.7804    0.4575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8226   -0.2956    0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7100   -1.3414   -0.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0618   -1.0998   -0.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5883    0.1699   -0.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7308    1.2256    0.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3607    0.9625    0.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9695    1.5124   -1.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9696    0.5252    0.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9643    1.8529    0.7385 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0836   -1.9663    0.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3316   -2.5798    0.6127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4130   -2.3808   -0.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7385   -1.9485   -0.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6713    0.3283   -0.1787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1402    2.2231    0.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7338    1.8231    0.3082 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