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
    3.8443    1.0176   -0.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8205   -0.2968   -0.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5572   -1.0446    0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5636   -2.2955    0.0572 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3274   -0.4096    0.0272 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1495   -1.1644    0.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0707   -0.3505    0.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2945   -0.9827    0.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4655   -0.2402    0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4637    1.1385    0.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2367    1.7657    0.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0675    1.0332    0.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7737    1.5505   -0.1823 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8749    1.5362   -0.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7414   -0.8385   -0.0841 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1238   -1.9273   -0.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2023   -1.7464    1.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3063   -2.0716    0.2336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4164   -0.7534    0.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3808    1.7257    0.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1935    2.8572    0.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0829    1.4968    0.0009 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