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
-4.0614 0.1848 -0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6609 -0.2605 -0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4325 -1.5252 0.2473 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5636 0.6704 -0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7773 1.8803 -0.4058 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2750 0.2050 0.0345 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8663 1.0322 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1066 0.2520 0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3751 0.7826 0.1545 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2711 -0.2408 0.4221 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4857 -1.3606 0.5999 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2170 -1.0298 0.4496 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6052 -0.4423 -0.9687 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6200 0.1994 0.7652 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1252 1.2238 -0.6041 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4334 -1.9333 0.3959 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2381 -2.2505 0.3429 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8838 1.4417 -1.1001 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7510 1.8493 0.6837 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6197 1.8327 -0.0443 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3579 -0.1502 0.4744 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8584 -2.3611 0.8288 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