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
6.2208 0.4136 -0.4213 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1028 -0.3635 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3866 -1.3353 0.9928 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7289 0.0043 -0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4966 0.9518 -0.9803 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6299 -0.6661 0.3239 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2943 -0.3165 -0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3157 -1.2178 0.6847 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9861 -0.8548 0.3262 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6443 0.3126 0.5445 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9224 1.1792 1.1854 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0009 0.6918 0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3840 1.9997 0.5477 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6107 2.5284 0.2789 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4962 1.7251 -0.4006 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1491 0.4534 -0.7844 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8847 -0.0910 -0.5072 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5798 -1.4267 -0.9338 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5053 -2.0906 -1.5722 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4268 -2.1296 -0.7655 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5832 1.1223 0.3683 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0640 -0.2416 -0.7194 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8572 1.0299 -1.2708 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3997 -1.5987 1.2531 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5908 -1.9082 1.4343 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0618 0.7192 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1142 -0.4393 -1.1118 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5351 -2.2803 0.3664 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4799 -1.1254 1.7881 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6956 2.6321 1.0792 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8932 3.5252 0.5757 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4796 2.1360 -0.6213 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8290 -0.1841 -1.3147 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3740 -3.1552 -0.7049 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