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
5.5632 0.0995 -1.6423 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1878 -0.0056 -0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1037 -0.2401 0.6839 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7936 0.1495 0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5057 0.0518 1.4330 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7768 0.3951 -0.6834 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4421 0.5380 -0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8696 -0.6832 0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4596 -0.4890 0.7723 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5210 -0.2350 -0.1193 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1632 -0.2055 -1.3051 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8580 -0.0441 0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0171 -0.1235 1.8164 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2034 0.0331 2.4669 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3193 0.2866 1.6992 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2102 0.3733 0.3242 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9700 0.2064 -0.3148 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9726 0.3162 -1.7379 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9692 0.1966 -2.4565 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1897 0.5806 -2.4197 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4894 0.7066 -1.7462 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7882 0.6074 -2.2575 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7516 -0.9108 -2.0715 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8380 -0.3214 1.7495 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1304 -0.3569 0.4009 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3250 1.3837 0.4588 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8233 0.8315 -1.1406 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9883 -1.5963 -0.2503 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4247 -0.8698 1.3236 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1203 -0.3247 2.4013 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2739 -0.0387 3.5603 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2592 0.4100 2.2233 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1017 0.5718 -0.2366 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1932 0.5923 -3.4355 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