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
    4.7517   -0.5056   -0.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5061   -0.2602   -0.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4761   -0.3976    0.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7628   -0.7420    1.5545 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1372   -0.1539    0.1106 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1398   -0.2821    1.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1787    0.0465    0.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2749    0.4050   -0.8351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4943    0.7150   -1.4177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6684    0.6727   -0.6773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5855    0.3150    0.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3547    0.0091    1.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5047   -0.3979   -1.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0300   -0.8037    0.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2046    0.0384   -1.6421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3335    0.3208    1.9976 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0993   -1.3531    1.4414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3758    0.4460   -1.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5828    1.0010   -2.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6184    0.9100   -1.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5074    0.2870    1.2094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3051   -0.2705    2.2526 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