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
-3.0817 1.0486 0.2426 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4064 -0.2622 0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1136 -1.2954 -0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9889 -0.4003 0.4769 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3854 -1.4980 0.3977 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3072 0.7102 0.8947 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0402 0.7551 1.2564 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9790 0.3539 0.1781 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5184 -0.8915 -0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3248 -0.7562 -1.1668 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2414 0.5602 -1.5530 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4435 1.1657 -0.7358 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2534 1.5171 -0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5286 1.7677 0.8728 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0824 0.9197 0.7467 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1518 -1.1564 -0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7220 -2.2966 -0.3854 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2614 1.8228 1.5476 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2354 0.1722 2.2003 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3371 -1.8113 0.5255 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9064 -1.5375 -1.6344 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7340 1.0606 -2.3865 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