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
5.4718 -1.6598 -0.3008 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1746 -0.2186 -0.4009 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1203 0.6125 -0.7554 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8201 0.2548 -0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5725 1.4786 -0.1861 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8042 -0.5978 0.2760 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4827 -0.2162 0.5744 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8580 0.3834 -0.6183 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4617 0.8231 -0.5024 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5285 -0.0474 -0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1160 -1.2052 -0.0464 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8770 0.4593 -0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0433 1.8476 -0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2468 2.4875 -0.2187 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3381 1.7015 0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2121 0.3527 0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9599 -0.3062 0.2077 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8869 -1.7203 0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9126 -2.4466 0.4035 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1039 -2.3813 0.7222 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6482 -1.8902 0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5438 -2.2210 -0.5984 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3377 -1.9599 -0.9267 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9076 1.6713 -0.8305 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1051 0.2330 -0.9699 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9802 -1.1673 0.9204 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5605 0.4617 1.4519 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5195 1.1174 -1.0936 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8062 -0.4569 -1.3875 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1807 2.4634 -0.5194 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3531 3.5530 -0.3818 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3078 2.1925 0.1349 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0723 -0.2675 0.5129 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1122 -3.3311 1.0029 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