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
5.9551 1.2341 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1900 -0.0127 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7887 -1.0790 -0.4948 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7816 -0.0311 0.3396 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2107 0.9821 0.8097 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0502 -1.1768 0.1466 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6788 -1.3032 0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8299 -0.3275 -0.3371 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5183 -0.5858 0.0764 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5636 0.1806 -0.4864 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2115 1.0163 -1.2965 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9180 -0.0825 -0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1273 -1.0975 0.8902 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3776 -1.4069 1.3393 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4495 -0.7055 0.8385 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2474 0.2749 -0.0866 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9679 0.6234 -0.5754 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9150 1.6813 -1.5541 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9025 2.1139 -2.0896 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1087 2.3133 -1.9714 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6607 1.6098 1.2343 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0369 0.9939 0.2094 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6976 2.0056 -0.5459 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2568 -2.0112 -0.6674 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8368 -1.0910 -0.7564 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4690 -1.2636 1.5335 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3724 -2.3289 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9245 -0.5799 -1.4075 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0786 0.7255 -0.1135 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2833 -1.6443 1.2794 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5923 -2.1730 2.0696 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4608 -0.9157 1.1651 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1158 0.8198 -0.4709 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0591 3.2417 -2.3865 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