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
    4.0189   -0.5471   -0.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1173   -1.2520    0.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8398   -0.6689    0.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0170   -1.3950    1.4566 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5226    0.6371    0.6308 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3308    1.2880    1.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8918    0.7214    0.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6689   -0.1358    1.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8305   -0.6591    0.6129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2272   -0.3458   -0.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4165    0.5203   -1.3714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2689    1.0462   -0.8213 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8376    0.4841   -0.4441 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9327   -0.9973   -0.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3122   -2.3155    0.6110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3152    1.2248    2.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    2.3896    0.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4319   -0.4393    2.2185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4784   -1.3441    1.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1341   -0.7591   -1.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6657    0.8151   -2.3925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6631    1.7325   -1.4323 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