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
-5.7977 0.5754 -0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9247 -0.4113 0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4514 -1.3392 1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4617 -0.3547 0.2502 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7669 -1.2158 0.8426 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9017 0.6214 -0.5488 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5112 0.7009 -0.7346 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8545 0.9692 0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5499 1.0720 0.5253 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3638 0.0169 0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7603 -0.9892 -0.2358 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7909 0.2646 0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2762 1.5112 0.5096 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6078 1.8444 0.5444 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5481 0.9311 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0939 -0.2872 -0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7395 -0.6486 -0.3126 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3798 -1.9693 -0.7753 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2772 -2.4855 -0.8951 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4439 -2.8264 -1.1579 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4624 1.0292 0.5073 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3625 0.1181 -1.0795 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1770 1.3717 -0.6754 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5182 -1.3820 1.3247 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8567 -2.0944 1.7118 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3457 1.5538 -1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2098 -0.2607 -1.2114 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1879 2.0130 0.8663 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2079 0.3422 1.4103 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5090 2.2269 0.8223 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9062 2.8267 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6125 1.1369 0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8367 -1.0234 -0.5875 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3021 -3.8379 -1.2318 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