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
    3.6618   -0.0602    1.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7435    0.2521   -0.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5240    0.3678   -1.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6048    0.6640   -2.2216 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2675    0.1549   -0.4428 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1163    0.2868   -1.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0762    0.0113   -0.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6147   -1.2473   -0.2707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7182   -1.4777    0.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3134   -0.4120    1.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7600    0.8517    1.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6653    1.0569    0.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5444   -0.1508    1.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7080   -0.2286    1.5067 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6844    0.4273   -0.7225 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0573    1.3190   -1.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1589   -0.4622   -2.0936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1306   -2.0810   -0.7996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1423   -2.4439    0.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1870   -0.5749    1.8027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2188    1.6846    1.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2445    2.0624    0.0990 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