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
    4.8403    0.4537   -0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5676    0.7535   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5061   -0.1328    0.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8384   -1.2184    0.7518 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1595    0.1630    0.0011 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2258   -0.7882    0.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1736   -0.3759    0.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8634    0.3614    1.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1690    0.7610    0.9558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8457    0.4427   -0.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1719   -0.2917   -1.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8545   -0.6920   -0.9455 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5936    1.1377   -0.3722 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1682   -0.4574    0.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2784    1.6790   -0.7125 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4277   -0.9447    1.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4530   -1.7586   -0.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3442    0.6193    2.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7007    1.3367    1.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8731    0.7588   -0.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7064   -0.5400   -2.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3560   -1.2670   -1.7146 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