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
5.5425 1.3091 -0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1332 -0.0759 0.1907 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0489 -1.0206 0.2461 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7280 -0.4380 0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4020 -1.6319 0.6153 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7265 0.5078 0.3459 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3531 0.2666 0.5245 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7820 -0.6764 -0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5932 -0.9303 -0.3123 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5869 0.0705 -0.4195 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1159 1.1865 -0.6805 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9681 -0.2742 -0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2718 -1.6185 0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5442 -2.0713 0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5820 -1.1944 0.1852 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3234 0.1201 -0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9970 0.5817 -0.3033 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8736 1.9767 -0.5863 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9190 2.7264 -0.6393 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7222 2.6465 -0.8194 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7262 1.8763 0.8557 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5009 1.2848 -0.6665 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8006 1.8032 -0.7431 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7846 -2.0571 0.4375 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1030 -0.8254 0.1068 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1323 -0.0880 1.5634 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8452 1.2426 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0243 -0.3878 -1.5295 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2794 -1.6565 -0.3272 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4610 -2.3083 0.1234 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6978 -3.1187 0.4817 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5908 -1.5601 0.3468 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1636 0.7836 -0.1489 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5022 3.5512 -0.4237 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