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
    4.7180    1.1090   -0.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4120    1.2390   -0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5097    0.1047   -0.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0098   -1.0634   -0.1084 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1322    0.2273   -0.0092 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2730   -0.8960    0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1437   -0.5294    0.1208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5025    0.7907    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8476    1.0937    0.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7921    0.0765    0.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4375   -1.2426    0.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0763   -1.5368    0.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1172    0.0893   -0.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4158    1.9070   -0.2551 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9965    2.2278   -0.1216 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4238   -1.4418   -0.9214 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5065   -1.5521    0.9176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7639    1.6032    0.0902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1737    2.1360    0.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8447    0.3171    0.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1388   -2.0652    0.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7937   -2.5941    0.1663 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