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
5.4278 1.0098 1.6646 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8192 0.3178 0.5013 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5942 -0.2616 -0.3857 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3761 0.2896 0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6382 0.8417 1.2030 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8189 -0.3508 -0.7185 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4433 -0.4379 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7922 -1.1878 0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6108 -1.3310 0.0390 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4448 -0.1922 -0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8720 0.9014 0.0908 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8662 -0.3938 -0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3143 -1.7290 -0.2368 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6564 -1.9697 -0.3755 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5481 -0.9199 -0.4293 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1179 0.3732 -0.3463 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7447 0.6542 -0.2033 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3818 2.0396 -0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3421 2.9029 -0.1909 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1613 2.6188 0.0087 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0843 2.0605 1.7619 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5196 1.0128 1.6316 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1393 0.4107 2.5750 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1494 -0.7622 -1.2276 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6680 -0.2588 -0.3084 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0591 0.5899 -1.1011 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2266 -1.0242 -1.8769 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0751 -0.8172 1.1743 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1969 -2.2376 0.1253 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5790 -2.5127 -0.1899 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0056 -3.0113 -0.4427 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5917 -1.1810 -0.5395 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8450 1.1830 -0.3917 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9462 3.3728 0.6780 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