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
   -3.4101    0.0383   -1.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6180   -0.5747   -0.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5361   -0.8422    0.7446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7222   -1.4222    1.8353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2594   -0.4416    0.4060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1236   -0.6468    1.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0389   -0.0696    0.4933 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7710   -0.8400   -0.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8353   -0.3056   -1.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1720    1.0158   -0.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4506    1.8101    0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3815    1.2453    0.6841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4136    0.3563   -1.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2147    0.2249   -1.9913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6145   -0.8928    0.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2665   -0.2025    2.2211 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0211   -1.7370    1.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5027   -1.8895   -0.5271 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4190   -0.9397   -1.7351 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0326    1.4067   -1.3964 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7453    2.8298    0.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8086    1.8771    1.3705 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