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
    4.6883   -0.1346   -0.9157 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4970    0.2864   -0.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3576   -0.6521   -0.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5468   -1.8490   -0.9516 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0879   -0.2506   -0.2782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0456   -1.0926   -0.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2227   -0.2865    0.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1011    1.0425    0.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1818    1.8062    0.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4300    1.2249    0.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5879   -0.1151    0.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4922   -0.8574    0.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5226    0.5311   -0.9022 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8293   -1.1536   -1.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3512    1.3175   -0.3017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2812   -1.4651   -1.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0811   -1.9809    0.3667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1044    1.5052    0.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0628    2.8602    1.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3180    1.7674    1.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5604   -0.6004    0.6783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5736   -1.9034   -0.0180 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