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
    3.9604   -0.7727   -0.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1603   -0.7331    0.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9102    0.0204    0.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1333    0.0736    1.6219 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5311    0.7175   -0.4974 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3288    1.4318   -0.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8761    0.6308   -0.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8473   -0.7251   -0.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0281   -1.4261   -0.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2090   -0.7916    0.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2293    0.5879    0.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0626    1.2842   -0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6533   -0.2249   -1.2656 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8829   -1.3238   -0.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4108   -1.2594    1.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2776    1.9580   -1.4981 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3240    2.2714    0.2434 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0484   -1.2933   -0.4832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9778   -2.5233   -0.0966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1398   -1.3420    0.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1746    1.0768    0.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0764    2.3627   -0.0234 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