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
4.5117 -1.2532 -0.7639 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7640 0.0082 -0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6680 0.8367 -1.6517 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1373 0.3002 0.6651 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2310 -0.4928 1.6348 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4178 1.4648 0.8671 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7833 1.8461 2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7428 0.8098 2.3975 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1561 0.7910 1.2956 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2765 -0.0741 1.2727 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3620 -0.7752 2.2901 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1429 -0.0471 0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8418 0.8409 -0.9058 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5902 0.9638 -2.0443 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7032 0.1799 -2.1887 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0334 -0.7005 -1.1936 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2466 -0.8174 -0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6721 -1.7723 0.9763 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1630 -2.0506 2.0588 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8498 -2.5156 0.6886 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8184 -1.6324 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4767 -1.1112 -1.3273 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9260 -2.0322 -1.2921 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1269 0.6182 -2.5952 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1144 1.7485 -1.5205 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2710 2.8195 1.8433 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4768 2.0471 2.8851 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2305 1.1953 3.3189 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1613 -0.1649 2.6398 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9714 1.4592 -0.8012 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3282 1.6681 -2.8432 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3228 0.2581 -3.0936 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9205 -1.3221 -1.3139 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2773 -3.0938 1.4153 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