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
-5.6689 -0.4125 0.7885 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8895 0.1262 -0.3542 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5016 0.7386 -1.3545 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4440 -0.0393 -0.3391 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7810 0.4106 -1.2960 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8019 -0.6741 0.6962 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4091 -0.8493 0.7486 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7314 0.4747 0.7806 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6621 0.4306 0.8358 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5120 -0.1205 -0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8583 -0.6363 -1.0791 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9536 -0.2018 -0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5390 -0.8480 -1.1961 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8927 -0.9769 -1.2949 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6734 -0.4660 -0.2908 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1011 0.1568 0.7818 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7065 0.3128 0.9258 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2066 0.9874 2.0997 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0951 1.4014 2.9387 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9350 1.2705 2.4868 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6087 0.1568 0.9572 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8929 -1.4794 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0261 -0.3717 1.6895 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5716 0.8716 -1.3848 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8898 1.1207 -2.1767 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2054 -1.4317 1.6731 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0551 -1.4931 -0.1025 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0669 0.9731 1.7386 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9991 1.1234 -0.0617 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9250 -1.2514 -1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3798 -1.4720 -2.1443 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7566 -0.5500 -0.3352 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7251 0.5683 1.5902 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6214 2.1503 2.8759 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