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
5.8051 -0.8166 -0.9004 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0178 -0.0059 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6112 0.5164 1.1371 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6081 0.1894 -0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0751 -0.3124 -1.1799 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8629 0.9331 0.7114 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5027 1.1659 0.5466 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6891 -0.0935 0.5392 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6909 0.1730 0.3702 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6257 -0.8157 0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1460 -2.0146 0.4627 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0560 -0.7177 0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8360 -1.8892 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1946 -1.8872 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8490 -0.6837 -0.1408 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1098 0.4699 -0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7063 0.4680 0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1041 1.7798 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8523 2.8259 -0.1503 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7777 2.1248 0.1233 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1110 -0.1703 -1.7475 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6597 -1.3200 -0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1201 -1.5879 -1.3074 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0061 1.0962 1.8174 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6619 0.3793 1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3125 1.7072 -0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1755 1.8533 1.3549 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7693 -0.5392 1.5758 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0718 -0.8420 -0.1516 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3267 -2.8312 0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8018 -2.7802 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9338 -0.6556 -0.2618 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6723 1.3875 -0.2564 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3769 2.8930 -0.4086 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