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
    4.0669    0.1904    0.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9755   -0.4127    0.0910 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6642    0.0235    0.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5300    0.9483    1.1191 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5411   -0.5599   -0.4001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7477   -1.5404   -1.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8171   -0.0999   -0.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8066   -0.3117   -1.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1031    0.0718   -1.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5181    0.7101    0.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    0.9361    1.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2365    0.5405    0.9419 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9850   -0.3577    0.5403 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8589    0.2533    1.8767 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1660    1.2146    0.3955 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0122   -2.0472   -1.8465 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7879   -1.8516   -1.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4993   -0.8117   -2.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8030   -0.1245   -1.8231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5427    1.0286    0.2387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8778    1.4404    1.9907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5728    0.7597    1.7833 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