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
5.8647 -1.5274 0.6632 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9835 -0.3830 0.3564 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5031 0.7451 -0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5511 -0.5027 0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0057 -1.5600 0.9178 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7453 0.5809 0.2255 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3330 0.5880 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6763 -0.4328 -0.5227 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.3758 -0.3596 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5434 0.6481 -0.6183 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9375 1.7033 -1.0819 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9755 0.7775 -0.4719 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5958 1.9944 -0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9508 2.1697 -0.7083 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7546 1.1598 -0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1526 -0.0134 0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7539 -0.2389 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2554 -1.5313 0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1326 -2.3838 0.8274 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9970 -2.0236 0.4080 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3072 -2.3982 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5429 -1.1998 1.4837 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4770 -1.8480 -0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9166 1.6195 -0.3062 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5708 0.8359 -0.1857 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0216 1.6192 0.0987 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0806 0.4396 1.4127 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9395 -0.2979 -1.6057 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0049 -1.4606 -0.2719 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9496 2.7711 -1.1962 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4306 3.0996 -0.9797 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8329 1.2670 -0.1277 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7887 -0.8239 0.4872 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7585 -3.0176 0.3731 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