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
-5.6147 0.6892 -0.8107 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1552 0.1033 0.4692 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0064 -0.0798 1.4402 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7646 -0.2601 0.6278 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3646 -0.7538 1.6988 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8493 -0.0683 -0.4031 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4739 -0.4296 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7315 -0.1156 -1.4943 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6410 -0.4265 -1.4671 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5214 0.1913 -0.5314 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9357 0.9921 0.2032 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9221 -0.1775 -0.5565 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3375 -1.1377 -1.5175 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6438 -1.5355 -1.6017 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5730 -1.0003 -0.7448 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2023 -0.0701 0.1949 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8509 0.3457 0.2868 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5209 1.3261 1.2948 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4387 1.8431 1.5761 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6043 1.7862 2.1088 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2723 -0.0454 -1.3442 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1752 1.6416 -0.6097 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7734 0.9637 -1.4688 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7243 -0.5040 2.3956 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0549 0.1869 1.3397 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1327 0.0933 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4760 -1.5378 -0.1127 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8985 0.9446 -1.8341 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1737 -0.7260 -2.3108 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5786 -1.5382 -2.1762 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9005 -2.2728 -2.3568 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5972 -1.3187 -0.8182 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9249 0.3579 0.8745 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4481 2.5328 2.7944 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