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
5.9067 0.3317 -1.2604 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0335 -0.1394 -0.1379 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5526 -0.7626 0.8985 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6007 0.0867 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0488 0.6731 -1.1392 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8160 -0.3551 0.8625 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4263 -0.2149 0.9682 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6917 -0.9002 -0.1647 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7064 -0.7755 -0.0825 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3871 0.3822 -0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6305 1.4267 -0.2276 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8138 0.6638 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2184 2.0188 -0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5344 2.3406 -0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5348 1.4016 0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1284 0.0946 0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7855 -0.2911 0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4707 -1.7176 0.1685 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3518 -2.2228 0.1333 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5504 -2.6375 0.2964 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7793 0.8839 -0.8555 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3254 1.0407 -1.8681 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2211 -0.5271 -1.8783 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6174 -0.9270 0.9236 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9624 -1.1161 1.7232 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1463 -0.7918 1.9024 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0947 0.8048 1.1643 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0098 -1.9595 -0.2558 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9794 -0.3838 -1.1269 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4577 2.8051 -0.1981 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8341 3.3809 -0.0799 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5824 1.6735 0.1471 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8571 -0.7203 0.2568 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3685 -3.5662 -0.0606 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