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
5.8644 0.1608 0.9592 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1376 0.5344 -0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7494 1.2247 -1.1997 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7400 0.1428 -0.4748 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1120 0.4558 -1.5208 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1273 -0.5865 0.5268 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7881 -1.0059 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8097 0.1393 0.3021 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4672 -0.4316 0.2109 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6087 0.4062 0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3250 1.5952 0.0692 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8733 -0.2733 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9131 -1.6799 0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0554 -2.4181 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2568 -1.7627 -0.1592 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2693 -0.3933 -0.2052 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0719 0.3630 -0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1747 1.8037 -0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3026 2.6684 -0.1328 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4831 2.3525 -0.3141 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2812 -0.6254 1.5187 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0188 1.0042 1.6478 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8258 -0.2972 0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2951 1.5397 -2.1295 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7772 1.5133 -1.0529 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6779 -1.7365 -0.4081 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5881 -1.6091 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8856 0.7299 1.2423 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0606 0.8119 -0.5134 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9671 -2.2158 0.1398 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0044 -3.5084 0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1487 -2.3649 -0.2165 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2104 0.1423 -0.3041 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6068 3.3205 -0.5780 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