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
    4.6280    0.2944    1.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3245    0.3257    1.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5055    0.0929    0.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0519   -0.1377   -0.8649 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1231    0.1045    0.2540 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3488   -0.1302   -0.9174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1056   -0.0586   -0.6161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5404    0.2018    0.6456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8826    0.2733    0.9496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7993    0.0737   -0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3790   -0.1939   -1.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0191   -0.2588   -1.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1262    0.0979    0.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2993    0.4641    2.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8717    0.5228    2.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5668   -1.1754   -1.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5738    0.5640   -1.7302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8281    0.3595    1.4430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2566    0.4792    1.9461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8596    0.1242    0.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0933   -0.3509   -2.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6559   -0.4650   -2.6277 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