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
5.6274 -0.1141 -0.9548 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0264 0.7518 0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7311 1.4512 0.9452 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5720 0.8209 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0153 1.5539 1.0504 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7417 0.1292 -0.6802 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3379 0.1904 -0.6121 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7594 -0.2865 0.6849 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6434 -0.1987 0.6890 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5265 -0.8109 -0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9758 -1.5882 -0.9979 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9692 -0.7602 -0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6362 -1.5369 -1.1368 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9954 -1.5533 -1.2588 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7675 -0.7945 -0.4094 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1645 -0.0283 0.5526 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7682 -0.0225 0.6645 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2328 0.8169 1.7089 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0339 1.4948 2.4594 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9195 0.9818 2.0051 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2632 -1.1480 -0.7748 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7286 -0.0447 -0.9742 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1862 0.1728 -1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8056 1.4056 0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2460 2.0610 1.6816 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0311 1.2616 -0.8094 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9612 -0.4432 -1.4485 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1648 0.2722 1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0461 -1.3671 0.8629 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0424 -2.1465 -1.8213 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4700 -2.1586 -2.0186 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8276 -0.8321 -0.5341 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7597 0.5710 1.2245 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5110 1.8993 2.2433 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