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
    4.1376    0.1637    0.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9521   -0.3855   -0.2250 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6797    0.0817    0.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6851    0.9927    0.9964 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4868   -0.4986   -0.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6659   -1.4733   -1.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8560   -0.0824   -0.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9407   -0.9206   -0.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2508   -0.5483   -0.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5267    0.6874    0.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4632    1.5228    0.7131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1463    1.1484    0.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7442   -0.6151    0.8354 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7489    0.6116   -0.4622 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8698    0.9437    1.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6642   -1.8143   -1.6075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1338   -1.9653   -1.8622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7450   -1.9103   -0.7657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0573   -1.2611   -0.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5455    0.9651    0.7068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6339    2.5018    1.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3352    1.8560    0.6123 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