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
    4.0672    0.4914    0.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2603    0.6883   -0.7839 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9495    0.0281   -0.8129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1443    0.1944   -1.7667 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5280   -0.8118    0.2047 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3043   -1.4717    0.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8858   -0.5960    0.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1146   -1.2048    0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2925   -0.4654    0.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2697    0.9042    0.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0442    1.5137    0.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8693    0.7633    0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0185    0.9688    0.2453 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7825   -0.1538    1.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5098    1.3267   -1.6174 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1742   -2.2278   -0.5542 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2980   -2.0729    1.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1969   -2.2749   -0.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2607   -0.9331   -0.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1941    1.4877    0.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9976    2.5872    0.5003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0888    1.2587    0.5219 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