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
5.5625 -0.5421 -0.8836 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2270 0.2704 0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1434 0.9193 0.9955 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8094 0.3284 0.7057 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4834 1.0108 1.7168 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8191 -0.3263 0.0275 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4443 -0.2871 0.3892 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7195 -1.1424 -0.6242 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6646 -1.2183 -0.4163 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5122 -0.0983 -0.4418 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9426 0.9655 -0.6645 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9138 -0.3049 -0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3494 -1.6408 0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6735 -1.9019 0.2548 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5927 -0.8818 0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1546 0.3920 0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8103 0.7149 -0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5100 2.0832 -0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4025 2.5716 -0.6715 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5566 3.0347 -0.4184 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2663 0.0591 -1.7743 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8732 -1.4250 -0.8843 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6239 -0.8501 -0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8973 1.5082 1.8601 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1760 0.8666 0.6918 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1362 0.7743 0.3254 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2686 -0.6572 1.4047 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1015 -2.1784 -0.5536 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9659 -0.7977 -1.6655 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5950 -2.4305 0.0243 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9863 -2.9411 0.4383 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6205 -1.0898 0.4286 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8785 1.1691 0.0208 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3542 4.0458 -0.4067 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