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
   -3.7732   -1.4229    0.6821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9464   -1.6412   -0.3444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8707   -0.6972   -0.6293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0969   -0.9095   -1.5969 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6579    0.4414    0.1290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6474    1.3833   -0.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7273    0.8346    0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0212   -0.4205    0.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3338   -0.8195    0.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3366    0.0145    0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0699    1.2773   -0.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7496    1.6629   -0.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6363   -0.5435    1.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5761   -2.0884    0.9282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0792   -2.5188   -0.9606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7354    2.1373    0.7482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7764    1.9617   -1.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2049   -1.0520    0.8040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5759   -1.8274    0.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3731   -0.3535    0.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8805    1.9191   -0.7256 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5227    2.6621   -0.7974 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