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
    4.5540   -1.3194    0.9412 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2437   -1.3306    0.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5143   -0.3154    0.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1175    0.5675   -0.4474 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1318   -0.2510    0.2195 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4361    0.7567   -0.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0464    0.5701   -0.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9486    1.4104   -0.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3121    1.2710   -0.8193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8212    0.2504   -0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9227   -0.6034    0.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5493   -0.4479    0.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0643   -0.5745    0.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1235   -2.0556    1.4827 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6793   -2.0633    1.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6272    0.6649   -1.6077 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    1.7231   -0.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5445    2.2065   -1.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0336    1.9228   -1.2934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8968    0.1237    0.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3376   -1.3877    1.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -1.1182    0.9232 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