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
4.9167 -0.0777 2.7598 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9926 -0.7052 1.4251 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1269 -1.1457 0.9676 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7922 -0.8253 0.6305 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8423 -1.3566 -0.5059 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5765 -0.3724 1.0791 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3683 -0.4674 0.3358 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2940 0.1459 1.1968 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9636 0.1255 0.5981 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2954 0.7470 -0.5558 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3159 1.3980 -1.0895 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5751 0.7627 -1.2311 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6688 1.4973 -2.4361 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8524 1.5579 -3.1295 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9869 0.9164 -2.6918 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8990 0.2085 -1.5320 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6872 0.1289 -0.7944 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7382 -0.6543 0.4076 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8296 -0.8866 1.2196 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9590 -1.2868 0.7966 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7482 0.6356 2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9791 0.5146 2.8448 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9432 -0.8170 3.5868 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1800 -1.6011 -0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0238 -1.0606 1.5512 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1199 -1.5373 0.1186 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4525 0.0219 -0.6487 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5427 1.2297 1.3679 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3066 -0.3979 2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7761 2.0060 -2.7867 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8877 2.1355 -4.0576 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8882 1.0042 -3.2853 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7808 -0.2978 -1.1796 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1016 -1.5459 1.7645 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