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
    4.6487   -1.0872    0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3501   -1.2139   -0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5304   -0.0193    0.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0216    1.1156    0.2902 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1545   -0.1236    0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3093    1.0034    0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1127    0.6034   -0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1447    1.5154    0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4564    1.1143   -0.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7806   -0.2051   -0.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7262   -1.1125   -0.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4123   -0.7238   -0.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0879   -0.1262    0.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3022   -1.9358   -0.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9015   -2.1742   -0.1961 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4489    1.3870    1.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5257    1.7771   -0.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9269    2.5750    0.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    1.8354   -0.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8103   -0.5438   -0.4094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9849   -2.1651   -0.5388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6387   -1.4961   -0.3041 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