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
-5.6443 -1.7521 0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9614 -0.4552 0.5658 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6628 0.6304 0.8247 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5084 -0.3316 0.4953 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8496 -1.3706 0.2483 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8525 0.8679 0.6879 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4554 1.0498 0.6287 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9494 0.7090 -0.7309 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4377 0.8553 -0.9087 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3871 0.1058 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8199 -0.6495 0.6537 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7907 0.3263 -0.3929 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1558 1.2687 -1.3865 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4612 1.5392 -1.6904 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4790 0.8823 -1.0177 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1553 -0.0197 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7932 -0.3034 0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5712 -1.2828 1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4744 -1.6445 1.6833 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6631 -1.9029 1.9158 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8986 -2.5462 0.5497 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0944 -1.8152 -0.6501 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4616 -1.9181 1.1033 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7423 0.5329 0.8761 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1774 1.5969 0.9827 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0368 0.4454 1.4585 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3060 2.1501 0.8437 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3255 -0.2698 -1.0591 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4054 1.4664 -1.4345 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3817 1.7844 -1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7672 2.2491 -2.4393 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5190 1.0742 -1.2351 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9345 -0.5487 0.4752 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5406 -2.7239 2.4854 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