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
6.6165 -1.1111 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3594 -0.3377 0.4695 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4187 0.9636 0.6348 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0412 -0.9989 0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9396 -2.2414 0.1815 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8857 -0.2664 0.3928 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5877 -0.8651 0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5806 0.2475 0.3774 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7424 -0.2745 0.2662 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7912 0.6795 0.3495 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4635 1.8543 0.5080 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1366 0.1456 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3012 -1.2413 0.0567 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5202 -1.8542 -0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6401 -1.0668 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5460 0.2645 0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2829 0.9028 0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2481 2.3269 0.4706 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3908 2.9243 0.5059 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1967 3.1627 0.6115 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4551 -2.1984 0.3618 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1736 -0.7626 -0.4989 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2580 -0.8190 1.2743 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3678 1.4490 0.7286 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5209 1.5504 0.6774 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5073 -1.3053 -0.7587 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4478 -1.6539 1.0101 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6866 0.9704 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6572 0.7919 1.3267 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3903 -1.8344 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5690 -2.9244 -0.1978 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6329 -1.5314 -0.0948 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4480 0.8923 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2040 4.1612 0.5866 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