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
-5.9031 -0.8834 -0.5004 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0219 0.2483 -0.1282 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5247 1.4386 0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5934 0.0065 0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1137 -1.1324 -0.1900 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7645 1.0405 0.3481 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3624 0.9448 0.5095 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6870 0.5059 -0.7605 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6954 0.3967 -0.6565 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3888 -0.4147 0.1781 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6142 -1.1330 0.9242 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7982 -0.6089 0.3711 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2363 -1.5531 1.3424 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5611 -1.7800 1.5685 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5103 -1.0999 0.8613 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0825 -0.1966 -0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7343 0.0782 -0.3432 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4311 1.0576 -1.3495 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3497 1.4566 -1.7502 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5302 1.6865 -2.0081 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6474 -0.5938 -1.2906 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4760 -1.2499 0.3949 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3414 -1.7379 -0.9347 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8663 2.2668 0.3495 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5846 1.6131 -0.0245 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2042 0.2479 1.3538 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9584 1.9246 0.8568 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0857 -0.4685 -1.1014 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8907 1.3018 -1.5351 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4642 -2.0891 1.8999 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8348 -2.5121 2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5729 -1.2907 1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8353 0.3395 -0.6253 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3860 2.1901 -2.8727 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