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
5.7149 -0.7427 0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8367 -0.0486 -0.8066 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3652 0.5906 -1.8287 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4012 -0.0693 -0.6246 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6828 0.5301 -1.4557 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7978 -0.7217 0.4253 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4137 -0.7535 0.6307 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8937 0.6151 0.8734 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4978 0.7001 1.0960 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4410 0.2950 0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9525 -0.1347 -0.8940 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8506 0.4212 0.4709 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2087 0.9443 1.7187 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4941 1.1153 2.1471 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4927 0.7434 1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1963 0.2283 0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8713 0.0587 -0.3715 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6626 -0.4921 -1.6787 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7166 -0.7854 -2.3575 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5124 -0.7752 -2.3658 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0518 -1.7068 -0.2673 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6114 -0.0875 0.2993 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2627 -0.8547 1.1602 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4315 0.6375 -2.0115 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7550 1.1215 -2.5675 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2541 -1.4239 1.5118 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9860 -1.2363 -0.2966 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2428 1.3104 0.0935 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3437 0.9510 1.8549 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3906 1.2326 2.3886 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7257 1.5250 3.1235 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5382 0.8767 1.6167 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0350 -0.0556 -0.6048 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4589 -1.6264 -2.9105 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