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
2.9498 -2.8903 4.1547 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5265 -1.4833 4.2601 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9163 -0.7245 5.2531 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6416 -0.9542 3.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2526 0.2407 3.2536 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2229 -1.7368 2.1523 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3883 -1.3433 1.0939 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0207 -0.2472 0.3125 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2553 0.2073 -0.7678 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9796 0.7559 -0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4606 0.8469 0.4544 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8371 1.2450 -1.7896 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0950 1.7715 -1.4566 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9613 2.2529 -2.4067 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6305 2.2399 -3.7378 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4082 1.7291 -4.0683 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5016 1.2289 -3.1108 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2491 0.7229 -3.5958 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6871 0.2487 -2.9701 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0161 0.7562 -5.0033 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2416 -3.5367 4.7449 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9153 -3.1888 3.0874 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9789 -3.0560 4.5391 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5632 -1.1468 6.0087 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5761 0.3004 5.2812 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5653 -0.9976 1.5605 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1842 -2.2543 0.4926 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3560 0.5575 0.9832 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9755 -0.6493 -0.1426 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3537 1.7804 -0.4018 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9279 2.6566 -2.1387 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3282 2.6251 -4.4825 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1420 1.7181 -5.1343 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8042 0.3252 -5.4133 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