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
6.2358 -0.6869 0.6321 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1618 0.0663 -0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4768 1.2052 -0.6454 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7859 -0.3846 -0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5034 -1.4440 0.5716 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7895 0.3230 -0.6225 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4350 -0.0309 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8038 -0.1402 0.6854 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5607 -0.4960 0.6626 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5294 0.2978 0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0980 1.3175 -0.4847 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9309 -0.1244 0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2278 -1.3372 0.6963 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4722 -1.8659 0.7907 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5180 -1.1795 0.2127 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2699 0.0041 -0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9641 0.5533 -0.5287 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7800 1.7954 -1.2177 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7500 2.4263 -1.4044 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9361 2.3968 -1.7686 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1631 -0.1052 0.7175 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4637 -1.6546 0.0961 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9321 -1.0182 1.6678 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4854 1.5794 -0.6799 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7115 1.7878 -1.1389 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8937 0.5889 -1.3976 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4080 -1.0726 -1.1055 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9799 0.7725 1.3099 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3176 -0.9575 1.2265 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4145 -1.8868 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6669 -2.8158 1.3096 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5079 -1.5945 0.2846 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0750 0.5459 -0.8855 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8455 3.1348 -2.4725 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