Monomers

Furfuryl acrylate

Identifiers

IUPAC name
furan-2-ylmethyl prop-2-enoate
InchI
InChI=1S/C8H8O3/c1-2-8(9)11-6-7-4-3-5-10-7/h2-5H,1,6H2
InchI Key
BHPLCUDMENJIRS-UHFFFAOYSA-N
SMILES
C=CC(=O)OCc1ccco1
Canonical SMILES
C=CC(=O)OCC1=CC=CO1
Isomeric SMILES
C=CC(=O)OCC1=CC=CO1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H8O3
Heavy Atom Count
11
Molecular Weight
152.149
Exact Molecular Weight
152.0473
Valence Electrons
58
Radical Electrons
0
tPSA
39.44
MolLogP
1.5088
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.5050    0.4964   -0.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8208   -0.1485    0.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4968   -0.6627    0.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8455   -1.2747    1.2475 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9305   -0.4752   -0.8737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3494   -0.9336   -1.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3514   -0.3010   -0.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9863    0.8994   -0.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8182    1.1103    0.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6700    0.0468    1.3554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7879   -0.7508    0.8054 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4958    0.8782   -0.0791 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1255    0.6783   -1.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2610   -0.2958    1.6131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4475   -2.0368   -1.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5613   -0.6058   -2.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8396    1.5386   -1.4571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4766    1.9395    0.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1927   -0.1026    2.3178 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  7  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  6 15  1  0
  6 16  1  0
  8 17  1  0
  9 18  1  0
 10 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers