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
    4.8262   -0.0303   -0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5779    0.0693   -0.6056 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5096   -0.0978    0.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7902   -0.3359    1.5481 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1547    0.0009   -0.0214 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1935   -0.1792    0.9945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1916   -0.0511    0.4711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8349    1.1729    0.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    1.2936   -0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8218    0.2034   -0.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1805   -1.0169   -0.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8966   -1.1366   -0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1252   -0.2349    0.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6501    0.0940   -0.9317 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3587    0.2742   -1.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3736    0.5227    1.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3600   -1.2096    1.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3200    2.0460    0.8127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5876    2.2707   -0.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8377    0.3139   -0.9013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7302   -1.8730   -0.8728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3978   -2.0965    0.0070 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