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
    4.6538    0.8948   -0.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3324    0.9718   -0.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5071   -0.2284   -0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9931   -1.3778   -0.0186 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355   -0.0763   -0.1043 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2184   -1.1418    0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1604   -0.5512   -0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7055   -0.1943    1.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9685    0.3519    1.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6775    0.5389    0.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1118    0.1731   -1.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8476   -0.3745   -1.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1248   -0.0939   -0.1778 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2515    1.7825   -0.3542 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8964    1.9563   -0.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3053   -1.8077   -0.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3650   -1.7597    0.9045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1732   -0.3317    2.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3787    0.6271    2.1979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6854    0.9781    0.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6941    0.3316   -2.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3804   -0.6687   -2.1218 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