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
    4.8717    0.2552    0.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6211    0.6839    0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5044   -0.2567    0.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7596   -1.4862    0.0447 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1861    0.1531    0.0478 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1789   -0.8150   -0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1790   -0.2634   -0.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4741    1.0812   -0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7867    1.5022   -0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8214    0.5925   -0.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5500   -0.7612   -0.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2334   -1.1521   -0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1373   -0.7924    0.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6882    0.9609    0.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4176    1.7326    0.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3746   -1.4788   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2619   -1.4666    0.8801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6415    1.7915    0.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0275    2.5561   -0.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8600    0.8868   -0.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3695   -1.4870   -0.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583   -2.2367   -0.1443 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