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
   -4.0168    0.8128    0.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1215    0.4811    1.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9032   -0.2261    0.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0589   -0.5324    1.6746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5995   -0.6036   -0.5162 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4261   -1.2801   -0.8313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8190   -0.5629   -0.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9977   -1.3067   -0.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2346   -0.7774   -0.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2906    0.5482    0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1235    1.2949    0.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8939    0.7373   -0.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9049    1.3341    0.5335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8559    0.5578   -0.7816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2988    0.7450    2.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3683   -2.3010   -0.3892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4257   -1.4468   -1.9413 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9700   -2.3476   -0.9263 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1603   -1.3264   -0.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2458    0.9806    0.2480 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2462    2.3204    0.4614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0020    1.3271   -0.0311 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