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
-5.6133 0.9291 -0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1492 -0.4897 -0.0947 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9703 -1.4897 -0.3272 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7446 -0.7605 0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3544 -1.9408 0.1976 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8485 0.2439 0.4339 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4798 0.0873 0.7099 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8078 -0.5606 -0.4538 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5802 -0.7702 -0.2940 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4945 0.2955 -0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9500 1.3924 -0.0824 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8912 -0.0444 0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2215 -1.4161 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5207 -1.8371 0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5262 -0.9281 0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2064 0.3973 0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8698 0.8662 0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6374 2.2861 0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5342 2.8199 0.2152 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7295 3.1653 0.5302 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9600 1.5223 -0.7591 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6789 0.9517 -0.4173 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5187 1.3099 0.9432 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5875 -2.4970 -0.3063 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0199 -1.3606 -0.5408 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0529 1.0655 1.0123 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3849 -0.5576 1.6357 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2450 -1.5601 -0.6096 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9811 -0.0028 -1.4046 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4662 -2.1532 -0.1517 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7671 -2.8941 0.0908 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5357 -1.2657 0.4384 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9574 1.1538 0.5411 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5089 4.0417 0.9838 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