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
   -3.8305    0.4276   -1.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2326   -0.5847   -0.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9864   -0.4064    0.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4029   -1.3632    0.7266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4275    0.8566    0.2348 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2449    1.1697    0.8993 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9267    0.4458    0.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1045    0.4819    1.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -0.1842    0.5859 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1083   -0.8742   -0.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9427   -0.9195   -1.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8293   -0.2415   -0.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7412    0.2914   -1.6997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3930    1.4073   -1.1029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6463   -1.5820   -0.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0528    2.2682    0.7168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3194    1.0814    2.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2010    1.0283    2.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1382   -0.1426    1.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9972   -1.3909   -0.9608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8749   -1.4679   -2.2511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0577   -0.3009   -1.4040 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