Monomers
Furfuryl methacrylate
Identifiers
IUPAC name
furan-2-ylmethyl 2-methylprop-2-enoate
InchI
InChI=1S/C9H10O3/c1-7(2)9(10)12-6-8-4-3-5-11-8/h3-5H,1,6H2,2H3
InchI Key
DWXAVNJYFLGAEF-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)OCc1ccco1
Canonical SMILES
CC(=C)C(=O)OCC1=CC=CO1
Isomeric SMILES
CC(=C)C(=O)OCC1=CC=CO1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H10O3
Heavy Atom Count
12
Molecular Weight
166.176
Exact Molecular Weight
166.063
Valence Electrons
64
Radical Electrons
0
tPSA
39.44
MolLogP
1.8989
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
22 22 0 0 0 0 0 0 0 0999 V2000
-2.4900 1.5104 0.4035 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7274 0.0558 0.3286 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9435 -0.4415 0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6007 -0.8505 0.2584 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7536 -2.0984 0.1932 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2876 -0.3887 0.2594 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8172 -1.3033 0.1892 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0609 -0.4906 0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7355 0.0249 -0.9009 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8356 0.7151 -0.4507 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8028 0.6023 0.9207 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7536 -0.1066 1.2527 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4772 1.7609 0.7835 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5561 1.9754 -0.6177 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2160 2.0301 1.0545 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1288 -1.5035 0.2695 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8272 0.1893 0.3746 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7561 -1.9004 1.1306 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7265 -1.9309 -0.7113 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4375 -0.1018 -1.9265 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5886 1.2449 -1.0047 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4938 1.0069 1.6382 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
2 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 8 1 0
1 13 1 0
1 14 1 0
1 15 1 0
3 16 1 0
3 17 1 0
7 18 1 0
7 19 1 0
9 20 1 0
10 21 1 0
11 22 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers