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
5.4768 1.4802 -0.8947 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1813 0.7218 0.3584 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0853 0.5634 1.2851 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8509 0.1609 0.5197 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6011 -0.4763 1.5715 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8458 0.2842 -0.4090 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5382 -0.2833 -0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7455 0.0604 -1.4253 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5664 -0.3857 -1.4733 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5466 -0.0167 -0.5296 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1212 0.7339 0.3293 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8885 -0.5122 -0.6317 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1931 -1.3792 -1.6990 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4380 -1.9149 -1.8969 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4345 -1.5928 -1.0158 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1626 -0.7545 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8818 -0.1953 0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7170 0.6819 1.3813 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6916 1.2660 1.7402 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8489 0.9071 2.1878 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3742 2.1423 -0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6445 2.1436 -1.1429 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6539 0.7953 -1.7372 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8362 0.0101 2.1763 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0803 0.9620 1.2045 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1095 0.1821 0.6663 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6601 -1.3710 -0.1584 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7549 1.1873 -1.5216 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2581 -0.3085 -2.3274 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3771 -1.6074 -2.3713 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6546 -2.5768 -2.7187 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4427 -1.9886 -1.1234 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9422 -0.4936 0.7278 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7898 1.5741 2.9407 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