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
-3.2552 -0.4797 -1.0885 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3385 0.6555 -0.8349 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6218 1.8376 -1.3113 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1076 0.4758 -0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3282 1.4381 0.1648 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7437 -0.7515 0.4847 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4308 -0.8995 1.2258 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6527 -0.5563 0.4568 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9151 -0.6405 1.0192 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8196 -0.2597 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0451 0.0424 -1.0619 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7959 -0.1508 -0.7631 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3147 -0.2392 -0.8866 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9360 -1.3272 -0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0886 -0.7974 -2.1442 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5050 2.0001 -1.8819 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9562 2.6590 -1.1263 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5178 -1.9597 1.5341 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4501 -0.2761 2.1478 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1732 -0.9488 2.0346 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8935 -0.2028 0.1391 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5016 0.3807 -1.9988 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