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
5.7647 -0.7346 -0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9527 0.5031 -0.0636 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5487 1.6727 -0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4989 0.3763 -0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7542 1.4170 -0.0693 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8513 -0.8351 -0.0669 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4424 -0.9622 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7771 -0.3674 -1.2528 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6130 -0.5421 -1.1776 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3992 0.0415 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7632 0.7101 0.6459 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8208 -0.1869 -0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3783 -0.9930 -1.1507 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7124 -1.2756 -1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5321 -0.7456 -0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0164 0.0331 0.7141 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6439 0.3371 0.8168 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1995 1.1727 1.9094 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0776 1.5633 2.2073 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2074 1.6356 2.8065 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1836 -1.6368 0.1745 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6804 -0.6396 0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1481 -0.8598 -1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6206 1.8031 -0.0612 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9554 2.5815 -0.0656 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1349 -2.0339 -0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0973 -0.5082 0.8715 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1141 -0.9288 -2.1682 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0237 0.7033 -1.4236 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7097 -1.3917 -1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1270 -1.8847 -2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6210 -0.9323 -0.2787 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7088 0.4408 1.4652 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0181 2.4673 3.3868 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