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
5.9535 -2.1070 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0631 -0.9525 0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5237 0.2649 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6284 -1.1523 0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1180 -2.3076 -0.1073 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7541 -0.1098 0.2842 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3405 -0.3607 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6775 0.9694 0.5018 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7124 0.9284 0.5139 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5631 0.5491 -0.4687 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9539 0.1830 -1.5499 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0054 0.4908 -0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6220 0.0468 -1.6831 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9836 -0.0544 -1.8398 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8192 0.2865 -0.8083 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2506 0.7205 0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8534 0.8288 0.5266 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3481 1.2974 1.7910 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2581 1.5817 2.6710 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0582 1.4860 2.1991 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3935 -3.0429 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3950 -1.9984 -1.1382 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7673 -2.1701 0.6466 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6051 0.4606 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8968 1.1144 0.4709 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0441 -0.7009 -0.7537 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1118 -1.0997 1.0483 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0125 1.3346 1.5111 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0890 1.6829 -0.2612 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9774 -0.2252 -2.5041 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4395 -0.3980 -2.7591 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8897 0.2044 -0.9387 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9089 0.9875 1.1616 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7303 1.2620 3.1468 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