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
    3.6299    0.8285   -0.8280 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7333   -0.3341   -0.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5522   -1.0413    0.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6924   -2.1524    0.8499 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2770   -0.5320    0.1601 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1247   -1.1914    0.6404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0715   -0.3510    0.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3425   -0.7493    0.6924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4649    0.0172    0.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3167    1.2207   -0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0370    1.6167   -0.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9238    0.8651   -0.3211 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5035    1.3236   -1.1895 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6698    1.2773   -0.9534 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7188   -0.8075   -0.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1401   -1.2874    1.7619 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0139   -2.2140    0.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4103   -1.7130    1.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4417   -0.3159    0.7064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1972    1.8111   -0.4414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9308    2.5561   -1.0951 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0808    1.1732   -0.5992 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