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
5.9011 -0.5899 -0.5696 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0415 0.5234 -0.1281 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5611 1.5425 0.5125 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6212 0.4800 -0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1442 -0.5261 -1.0344 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8325 1.5232 0.0082 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4652 1.5115 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7539 0.3471 0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6128 0.4973 0.0417 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5738 -0.4535 0.4946 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0917 -1.3329 1.1720 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9597 -0.2714 0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2857 0.8385 -0.6896 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5361 1.1455 -1.1299 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5623 0.3074 -0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2909 -0.7860 0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9839 -1.0931 0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8147 -2.2707 1.2841 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8663 -2.9611 1.5464 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6194 -2.6959 1.7927 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4735 -1.1719 -1.4036 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8892 -0.2185 -0.9231 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1118 -1.2147 0.3241 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6164 1.5623 0.7142 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9335 2.3701 0.8428 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3327 1.4533 -1.3605 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9583 2.4569 0.0485 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1337 -0.6416 0.0933 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9082 0.4317 1.4896 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4825 1.4935 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7395 2.0317 -1.7593 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5633 0.5333 -1.1037 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0793 -1.4559 0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6161 -3.3660 2.5732 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