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
4.8392 -1.3227 -0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4281 -1.6165 0.1206 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0538 -2.8093 0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4466 -0.5484 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2630 -0.8255 0.2768 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7776 0.6984 -0.3926 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0289 1.8317 -0.5738 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9461 1.8363 -1.5836 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1200 0.9547 -1.4242 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0088 1.1225 -0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7059 2.0824 0.3950 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1177 0.1864 -0.1781 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2375 -0.8417 -1.1326 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2414 -1.7716 -1.0802 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1983 -1.7592 -0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0781 -0.7568 0.8383 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0583 0.2136 0.8118 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0399 1.2193 1.8366 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2561 2.1422 1.9879 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0580 1.1521 2.8145 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9311 -0.6920 -1.1014 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4413 -2.2566 -0.3229 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3047 -0.7331 0.6355 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0392 -3.0774 0.7515 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7953 -3.6044 0.5939 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6583 2.1758 0.4382 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7784 2.6545 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4071 1.6803 -2.6030 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5728 2.9132 -1.6717 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4901 -0.8724 -1.9289 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3247 -2.5656 -1.8268 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9872 -2.4987 -0.0566 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8264 -0.7350 1.6262 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9631 1.6860 3.6936 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