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
5.8198 -1.2652 -0.6608 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0433 -0.0620 -0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6996 1.0269 0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5792 -0.0814 -0.3302 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9975 -1.1271 -0.7151 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8024 0.9931 0.0154 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3994 1.0489 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7532 0.0321 0.8741 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6309 0.0342 0.8903 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4479 -0.1872 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8429 -0.4233 -1.2669 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8919 -0.1995 -0.2187 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5230 -0.4571 -1.4464 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8739 -0.4904 -1.6156 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6486 -0.2560 -0.5093 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0616 -0.0018 0.7023 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6647 0.0354 0.8901 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1705 0.3113 2.2149 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0060 0.3863 2.6032 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1168 0.5349 3.2510 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1211 -2.0876 -0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4143 -1.6019 0.2131 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4607 -1.0911 -1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1831 1.9295 0.4274 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7784 1.0324 0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0003 0.9436 -1.0411 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1274 2.0915 0.2969 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0942 0.2561 1.9235 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1183 -0.9947 0.6608 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8972 -0.6401 -2.3102 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3608 -0.6897 -2.5655 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7445 -0.2662 -0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6843 0.1853 1.5852 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8267 1.0809 4.0746 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