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
5.6001 -1.6938 0.6597 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9999 -0.3620 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7685 0.6969 0.4614 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5698 -0.2269 0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0835 0.9219 0.1108 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7077 -1.3044 0.2686 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3133 -1.2579 0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6746 -0.4817 1.1917 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7084 -0.3562 1.1483 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4012 0.2937 0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6196 0.7222 -0.7701 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8438 0.3579 0.1456 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5012 -0.2181 1.2474 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8634 -0.1869 1.3586 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6483 0.4082 0.3997 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9960 0.9636 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5861 0.9516 -0.8163 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0569 1.5920 -2.0162 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8544 1.6554 -2.2740 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9682 2.1737 -2.9381 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9250 -2.4369 0.1739 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6035 -1.7368 0.1516 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7041 -1.9748 1.7249 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3422 1.6930 0.3178 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8367 0.6580 0.5962 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0223 -0.8482 -0.8873 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9647 -2.3262 0.0643 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8838 -1.0591 2.1411 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2057 0.4786 1.3283 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8836 -0.6998 2.0257 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3656 -0.6324 2.2101 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7228 0.4320 0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6003 1.4366 -1.4296 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5855 2.3669 -3.8525 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