Monomers
2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic Acid
Identifiers
IUPAC name
2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid
InchI
InChI=1S/C14H14O6/c1-9(2)13(17)19-7-8-20-14(18)11-6-4-3-5-10(11)12(15)16/h3-6H,1,7-8H2,2H3,(H,15,16)
InchI Key
FIQBJLHOPOSODG-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)OCCOC(=O)c1ccccc1C(=O)O
Canonical SMILES
CC(=C)C(=O)OCCOC(=O)C1=CC=CC=C1C(=O)O
Isomeric SMILES
CC(=C)C(=O)OCCOC(=O)C1=CC=CC=C1C(=O)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C14H14O6
Heavy Atom Count
20
Molecular Weight
278.26
Exact Molecular Weight
278.079
Valence Electrons
106
Radical Electrons
0
tPSA
89.9
MolLogP
1.6609
H Bond Acceptors
5
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
34 34 0 0 0 0 0 0 0 0999 V2000
5.9372 1.5134 0.5884 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9684 0.4191 0.8333 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3830 -0.7857 1.1809 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5441 0.7019 0.6818 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1770 1.8343 0.3562 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6125 -0.2736 0.8965 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2485 -0.0476 0.7613 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8229 0.3687 -0.6078 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5676 0.5960 -0.7404 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5261 -0.4063 -0.5255 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0587 -1.4909 -0.2173 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9189 -0.0792 -0.6815 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2087 1.2505 -1.0423 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5188 1.6236 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5191 0.6992 -1.0143 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2085 -0.5970 -0.6613 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8894 -1.0214 -0.4848 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6935 -2.4057 -0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7555 -3.1327 0.0214 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5164 -3.0789 0.1167 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5746 2.4117 1.1349 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9233 1.2553 1.0566 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1218 1.7006 -0.4811 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4418 -0.9717 1.2869 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7060 -1.5901 1.3627 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6520 -0.8824 1.1967 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0163 0.8166 1.4599 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1686 -0.3568 -1.4007 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3001 1.3254 -0.8814 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4067 1.9564 -1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7592 2.6272 -1.4783 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5550 0.9976 -1.1438 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0110 -1.3157 -0.5142 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4851 -3.6617 0.9680 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 1 0
9 10 1 0
10 11 2 0
10 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
18 20 1 0
17 12 1 0
1 21 1 0
1 22 1 0
1 23 1 0
3 24 1 0
3 25 1 0
7 26 1 0
7 27 1 0
8 28 1 0
8 29 1 0
13 30 1 0
14 31 1 0
15 32 1 0
16 33 1 0
20 34 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers