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
5.6507 1.1717 -0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0104 0.1191 0.6663 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7005 -0.5016 1.6032 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6155 -0.2601 0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1061 -1.1525 1.1926 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8429 0.3440 -0.4783 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4973 0.0399 -0.7196 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6716 0.3329 0.4834 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7016 0.0484 0.3006 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5257 0.5807 -0.5985 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9911 1.4503 -1.3789 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9259 0.3114 -0.8085 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6002 1.0154 -1.8399 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9178 0.7893 -2.0649 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6287 -0.1132 -1.3139 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0160 -0.8090 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6438 -0.5926 -0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0685 -1.3703 1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9101 -1.3772 1.4338 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8996 -2.2756 1.7321 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4061 0.7578 -0.8683 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2153 1.8930 0.4826 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9026 1.7686 -0.7098 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2768 -1.2682 2.2247 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7444 -0.2402 1.7689 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2032 0.6848 -1.6009 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4009 -1.0331 -1.0473 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9930 -0.3199 1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8426 1.3729 0.7858 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0103 1.7305 -2.4253 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4051 1.3491 -2.8674 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6861 -0.2783 -1.5127 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5352 -1.5261 0.2993 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6143 -2.6417 2.6416 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