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
    3.5674    1.0508   -1.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9056   -0.0843   -1.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8977   -0.3482   -0.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2629   -1.4211   -0.5481 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6306    0.5825    0.4431 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    0.3892    1.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7022    0.1912    0.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4227    1.2885    0.4429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7003    1.1837   -0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3098   -0.0305   -0.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6107   -1.1312    0.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207   -1.0394    0.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3560    1.7752   -0.7361 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3253    1.2781   -2.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0915   -0.8483   -2.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9372   -0.4562    2.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7049    1.3006    2.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9257    2.2633    0.5064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1903    2.1079   -0.4027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3057   -0.0961   -0.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0504   -2.1212    0.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8072   -1.9211    1.1635 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