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
-5.4422 0.2172 -2.0442 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8567 0.8820 -0.8668 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6226 1.5463 -0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4165 0.7943 -0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9778 1.3934 0.4014 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5812 0.1032 -1.4943 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2163 0.0295 -1.2501 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9100 -0.6850 0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4559 -0.7694 0.2955 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3553 0.2203 0.4666 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8388 1.3999 0.3691 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7758 0.1723 0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4645 1.3922 0.8684 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8118 1.4755 1.1248 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5692 0.3391 1.2678 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9180 -0.8498 1.1426 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5337 -0.9626 0.8791 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9478 -2.2657 0.7651 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7840 -2.5712 0.5407 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8096 -3.3799 0.9300 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3456 0.7633 -2.4303 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7925 -0.8200 -1.8268 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7262 0.1707 -2.8931 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2062 2.0452 0.8444 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6910 1.6302 -0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8423 1.0884 -1.1983 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6383 -0.4187 -2.0885 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5029 -0.2590 0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2726 -1.7574 -0.0486 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8914 2.2981 0.7602 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3268 2.4309 1.2238 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6398 0.4076 1.4716 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5007 -1.7642 1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4179 -4.2970 1.1520 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