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
6.0813 -1.0581 -0.5022 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0781 -0.0039 -0.2545 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4350 1.2523 -0.1534 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6760 -0.3639 -0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3082 -1.5609 -0.2140 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7122 0.6055 0.1118 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3501 0.1616 0.2305 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4470 1.3405 0.4801 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8721 0.9166 0.5980 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6683 0.2891 -0.2909 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0957 0.0613 -1.4165 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0371 -0.1393 -0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6137 -0.7777 -1.2488 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9017 -1.2279 -1.2176 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6386 -1.0540 -0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1197 -0.4410 1.0288 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7934 0.0201 0.9903 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3146 0.6523 2.1848 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1473 0.7385 3.1851 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0887 1.1881 2.4325 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9184 -0.6849 -1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5731 -1.9233 -0.9851 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4529 -1.4252 0.4771 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7280 2.0366 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4730 1.5119 -0.2529 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2622 -0.5478 1.0685 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0433 -0.3394 -0.7064 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7232 1.8110 1.4704 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5898 2.1476 -0.2721 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0456 -0.9253 -2.1613 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3897 -1.7251 -2.0538 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6725 -1.4025 -0.0211 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7309 -0.3125 1.9319 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7221 1.1799 3.3748 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