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
    3.5034   -0.9571   -0.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1469   -0.5615   -0.1249 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7340    0.7472   -0.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6451    1.6431    0.0421 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3658    1.2303   -0.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0832    2.5168   -0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7570    0.2998   -0.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6183   -0.9418   -0.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7062   -1.7858   -0.8657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9183   -1.4170   -0.3318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0366   -0.1786    0.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9827    0.6943    0.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0449   -0.1788    0.5105 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377   -1.9231    0.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9390   -1.0749   -1.0917 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9130    3.2015    0.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8919    2.9513   -0.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3423   -1.2436   -1.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5967   -2.7670   -1.3365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7699   -2.0771   -0.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9908    0.1506    0.6940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0869    1.6711    0.8011 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