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
5.9738 -0.4205 -0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0001 0.5560 0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4587 1.5771 0.8154 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5656 0.4242 -0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1691 -0.5676 -0.7279 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6451 1.3088 0.4290 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2472 1.2383 0.2811 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7424 -0.0107 0.9154 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6473 -0.1747 0.8224 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4004 -0.2650 -0.2993 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6902 -0.1833 -1.3825 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8166 -0.4315 -0.4913 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2968 -0.4890 -1.8250 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6306 -0.6452 -2.0869 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5564 -0.7524 -1.0779 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0751 -0.6949 0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7157 -0.5356 0.5277 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3182 -0.4887 1.9122 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2136 -0.3613 2.4130 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3758 -0.6094 2.8711 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6248 -0.8231 -1.3927 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0911 -1.2231 0.3403 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9687 0.0307 -0.5913 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7692 2.2953 1.2207 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5125 1.7231 0.9891 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8207 2.1298 0.7976 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0275 1.2821 -0.8167 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9541 0.0880 2.0233 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3185 -0.8710 0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5894 -0.4071 -2.6308 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9794 -0.6871 -3.1105 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6043 -0.8752 -1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7705 -0.7753 1.0184 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2090 -0.3617 3.8467 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