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
5.0065 -0.4657 -1.7158 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9383 -0.5144 -0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7057 -1.6348 -0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1810 0.6958 -0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3919 1.7664 -0.9842 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1883 0.6834 0.5896 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4402 1.8387 0.8831 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4342 1.5780 1.9573 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5079 0.5978 1.6788 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3670 0.7773 0.5759 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1956 1.8152 -0.0501 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3477 -0.2526 0.2899 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3847 -1.3786 1.1345 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2780 -2.3785 0.9223 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1824 -2.3442 -0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1636 -1.2595 -0.9488 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2414 -0.2151 -0.7392 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3147 0.8759 -1.6792 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2024 0.8000 -2.6126 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5771 2.0225 -1.7557 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 0.5701 -1.9322 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6406 -0.9010 -2.6697 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9075 -1.0373 -1.3894 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9396 -1.6503 0.7342 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2575 -2.5318 -0.2151 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1735 2.5939 1.2917 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0693 2.2689 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9909 1.2607 2.8627 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0603 2.5389 2.2666 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6816 -1.3972 1.9356 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3130 -3.2502 1.5691 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8783 -3.1766 -0.2396 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8766 -1.2517 -1.7524 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0077 2.9560 -1.8200 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