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
-3.7120 -1.3118 1.4050 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0735 -0.6742 0.1152 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0795 -1.1937 -0.5659 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3421 0.4838 -0.3787 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7005 0.9750 -1.4786 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2841 1.0479 0.3152 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5753 2.1801 -0.1763 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4828 2.5977 0.7495 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5022 1.6109 0.9870 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3046 1.0821 -0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0435 1.5796 -1.1601 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2933 0.0677 0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4057 -0.3395 1.6028 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2960 -1.2844 2.0378 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1357 -1.8774 1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0364 -1.4871 -0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1249 -0.5199 -0.6345 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1285 -0.2071 -2.0478 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4136 0.6048 -2.6544 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0418 -0.8809 -2.8980 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6398 -1.3773 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3696 -2.3653 1.2355 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9503 -0.7440 1.9398 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6306 -2.0460 -0.2194 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4050 -0.7808 -1.5229 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2036 2.0356 -1.1969 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3059 3.0465 -0.1932 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0224 3.5511 0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9181 2.8233 1.7382 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7632 0.1035 2.3497 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3759 -1.5923 3.0676 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8674 -2.6414 1.4255 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7137 -1.9700 -0.9069 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2487 -0.4965 -3.7868 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