Monomers

Benzyl acrylate

Identifiers

IUPAC name
benzyl prop-2-enoate
InchI
InChI=1S/C10H10O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h2-7H,1,8H2
InchI Key
GCTPMLUUWLLESL-UHFFFAOYSA-N
SMILES
C=CC(=O)OCc1ccccc1
Canonical SMILES
C=CC(=O)OCC1=CC=CC=C1
Isomeric SMILES
C=CC(=O)OCC1=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
1.9158
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
    3.9707   -0.2783   -0.7566 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2520   -0.6673    0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9800   -0.0560    0.6282 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3063   -0.4573    1.6347 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4226    0.9880   -0.0922 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1879    1.5736    0.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9502    0.6588    0.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5061    0.1806   -0.9087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5983   -0.6894   -0.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1397   -1.0851    0.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5862   -0.6086    1.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5101    0.2479    1.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5860    0.5332   -1.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8965   -0.7248   -1.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6220   -1.4727    0.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0092    2.4085   -0.4740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2619    2.0850    1.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0825    0.4900   -1.8565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0455   -1.0727   -1.7784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9904   -1.7618    0.3714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9889   -0.9009    2.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0974    0.6094    2.3643 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  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
  2 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