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
5.9747 -1.3209 0.3928 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2048 -0.0931 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8122 0.9029 -0.5924 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7839 0.0308 0.3061 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2072 -0.9170 0.8840 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0699 1.1511 -0.0356 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6901 1.3281 0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8384 0.2791 -0.4479 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5153 0.5829 -0.1034 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5767 -0.2420 -0.5921 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1690 -1.1681 -1.2914 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9331 0.0857 -0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1203 1.2121 0.5912 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3770 1.5949 0.9828 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4998 0.9092 0.5994 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3241 -0.1840 -0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0329 -0.6026 -0.6179 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9508 -1.7737 -1.4613 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9328 -2.2808 -1.9193 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1412 -2.4519 -1.8330 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0274 -0.9993 0.5292 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5969 -1.6461 1.4032 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8389 -2.1001 -0.3661 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8608 0.8173 -0.8096 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3045 1.8048 -0.8837 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4579 1.4379 1.2959 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4320 2.3284 -0.2339 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1223 -0.7463 -0.1567 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9092 0.3657 -1.5507 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2336 1.7695 0.9053 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4908 2.4739 1.6209 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5037 1.2300 0.9229 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1650 -0.7744 -0.5394 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1651 -3.0039 -2.7003 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