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
5.9218 -0.5597 0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0359 -0.1502 -0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5931 0.0792 -1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5978 -0.0087 -0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1128 -0.2382 1.0590 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7327 0.3695 -1.0865 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3377 0.5134 -0.9162 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6645 -0.7514 -0.4905 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7124 -0.5382 -0.3426 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3781 0.2791 0.4863 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6036 0.9685 1.2682 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7859 0.5299 0.6662 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1982 1.4685 1.6410 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5084 1.7738 1.8856 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4827 1.1450 1.1553 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0960 0.2361 0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7502 -0.0957 -0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4529 -1.0713 -1.0814 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3739 -1.5024 -1.4745 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5991 -1.6272 -1.7443 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2743 -1.6166 0.7264 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8207 0.1179 0.7703 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4477 -0.4026 1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9504 0.3802 -2.2862 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6536 -0.0194 -1.6346 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9370 0.7649 -1.9271 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0640 1.3254 -0.2491 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8753 -1.5496 -1.2475 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0288 -1.1115 0.5099 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4177 1.9692 2.2227 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8101 2.4994 2.6401 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5388 1.3585 1.3177 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8698 -0.2670 -0.3732 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4702 -2.3183 -2.4731 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