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
    3.7097   -0.3782    0.9477 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7435    0.2168   -0.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5340    0.5484   -0.9659 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6113    1.1084   -2.0875 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2620    0.2832   -0.4896 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0926    0.6019   -1.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0943    0.1824   -0.3918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3837    0.3788   -0.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4841   -0.0197   -0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2995   -0.6264    1.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0150   -0.8276    1.5966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9179   -0.4235    0.8335 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7592   -0.6222    1.3957 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6013   -0.6185    1.4701 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6962    0.4515   -0.6751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0105    1.6732   -1.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0818   -0.0068   -2.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5064    0.8611   -1.8185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4828    0.1447   -0.4671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1598   -0.9261    1.6987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8364   -1.3020    2.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0988   -0.5749    1.1830 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