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
    3.7238    1.6687   -0.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2424    0.4594   -0.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0114    0.0279    0.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4449    0.8399    0.9380 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4557   -1.2131   -0.0035 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2885   -1.6779    0.5972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9092   -0.8802    0.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1094   -1.0018    0.9363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2169   -0.2411    0.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1474    0.6668   -0.4395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9463    0.7820   -1.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8416    0.0273   -0.7705 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6308    2.0005   -0.7553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2308    2.3686    0.3882 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7895   -0.1864   -1.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1086   -2.7160    0.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3752   -1.7986    1.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1645   -1.7155    1.7492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1587   -0.3271    1.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0151    1.2785   -0.7247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8538    1.4826   -1.9222 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0615    0.1555   -1.3224 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