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
5.7981 1.9098 -1.0409 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0349 0.9147 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6418 -0.0620 0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5703 0.9813 -0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9901 1.9036 -0.7766 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8362 0.0801 0.5465 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4367 0.0802 0.6717 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8103 -0.0952 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5930 -0.1116 -0.6533 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4119 -0.9565 -0.0171 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7853 -1.8548 0.6685 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8530 -1.0351 0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4489 -2.0547 0.8038 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8011 -2.2368 0.9336 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6616 -1.3873 0.2835 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1269 -0.3857 -0.4733 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7332 -0.1972 -0.6077 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2742 0.8935 -1.4327 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0959 1.1583 -1.6264 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2734 1.6897 -2.0432 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7659 1.5970 -2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8466 1.9680 -0.7092 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3175 2.9097 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1068 -0.7966 0.9656 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7272 -0.1554 0.3554 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1635 1.0355 1.1641 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1834 -0.7493 1.3654 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1323 -1.0969 -1.0542 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1786 0.6405 -1.3849 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7749 -2.7277 1.3186 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2326 -3.0380 1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7225 -1.5536 0.4032 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8141 0.2709 -0.9759 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9378 2.4617 -2.6274 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