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
    3.8742   -1.3246    1.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3171   -0.6136    0.1847 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0624    0.1043    0.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5103    0.0273    1.4937 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4574    0.8509   -0.6117 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2545    1.5520   -0.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9131    0.7316   -0.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9260   -0.6556   -0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0776   -1.3811    0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208   -0.6968    0.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2365    0.6705    0.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0892    1.3626    0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8024   -1.8548    1.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4137   -1.4050    2.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8326   -0.5804   -0.7643 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3358    2.4135    0.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0457    2.0203   -1.4828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0248   -1.1806   -0.4225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0556   -2.4506    0.1619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1153   -1.2376    0.7725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1462    1.2053    0.8013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1011    2.4423    0.2151 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