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
6.3223 -0.9642 0.6871 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2103 -0.0521 0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4807 1.1575 -0.1203 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8095 -0.4727 0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5095 -1.6217 0.8994 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7586 0.3601 0.1458 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4072 -0.0218 0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5393 1.1359 -0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8286 0.8706 -0.0900 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5373 -0.0923 -0.7131 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8082 -0.8450 -1.4789 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9429 -0.3490 -0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4458 -1.4285 -1.3737 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7712 -1.7804 -1.3673 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6669 -1.0804 -0.6085 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2123 -0.0385 0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8553 0.3326 0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4626 1.4641 0.9539 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3501 1.9550 1.0981 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4818 2.1039 1.6980 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1874 -0.6890 0.0596 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6522 -0.8478 1.7434 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0698 -2.0293 0.4815 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7136 1.8672 -0.3964 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5052 1.4809 -0.2292 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2157 -0.1538 1.3762 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1528 -0.9607 -0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8455 1.4401 -1.2153 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7466 2.0256 0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7829 -2.0108 -1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1393 -2.6151 -1.9586 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7160 -1.3886 -0.6272 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8981 0.5210 0.7305 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2270 2.7274 2.4616 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