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
    3.3542    1.2662   -0.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0447    0.7756   -0.1271 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6830    0.0058    0.9478 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5519   -0.2408    1.8314 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3432   -0.5295    1.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0952   -1.2771    2.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7339   -0.3200    0.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7255    0.7350   -0.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7338    0.9306   -1.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7779    0.0390   -1.7285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -1.0417   -0.8798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8053   -1.1893    0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1307    0.5073    0.0101 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6063    1.6710   -1.2202 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4651    2.0881    0.5302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8546   -1.7221    2.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8973   -1.4417    2.8639 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0566    1.5093   -0.7498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6933    1.7813   -2.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5684    0.2104   -2.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6663   -1.7283   -0.9516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8361   -2.0292    0.6903 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