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
   -3.8881    0.9729    0.3997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1968    0.2099   -0.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9320   -0.3708   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4698   -0.1707    1.1465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2011   -1.1678   -0.8567 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0115   -1.7251   -0.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0269   -0.7160   -0.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1743   -1.1064    0.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0888   -0.1248    0.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9022    1.2115    0.5886 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7451    1.5805   -0.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8086    0.6053   -0.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8280    1.4163    0.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5358    1.1780    1.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5616    0.0138   -1.4290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0883   -2.4994    0.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4303   -2.2606   -1.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3519   -2.1627    0.8319 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9977   -0.4390    1.4114 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6365    1.9686    0.8491 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5983    2.6213   -0.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0706    0.9650   -0.9093 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