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
5.6225 -1.9315 -0.4409 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9143 -0.6964 -0.8038 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5862 0.3177 -1.2712 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4803 -0.6070 -0.6432 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8238 -1.5984 -0.1863 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7548 0.5235 -0.9650 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3613 0.6679 -0.8292 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8827 0.5126 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4994 0.6557 0.7146 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4111 -0.1741 0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9016 -1.1226 -0.5606 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8569 -0.1403 0.1949 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5349 -1.1456 -0.5171 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8995 -1.2118 -0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6392 -0.2780 0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9696 0.6877 0.8419 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5747 0.7837 0.8798 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9991 1.8519 1.6408 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8025 2.0738 1.7769 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8652 2.7493 2.3076 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6296 -1.6551 -0.0332 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0570 -2.5557 0.2947 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7456 -2.5753 -1.3394 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0904 1.2249 -1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6564 0.2667 -1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1248 1.7297 -1.1382 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7895 0.0312 -1.5037 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3865 1.2964 1.1979 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1473 -0.5048 0.9898 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9721 -1.8756 -1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3748 -2.0091 -1.1001 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7200 -0.3466 0.1333 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5411 1.4096 1.3772 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4912 3.6455 2.6477 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