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
6.1337 -1.0210 0.6072 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0900 -0.1387 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4207 0.8075 -0.8032 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7144 -0.3413 0.4505 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3859 -1.2434 1.2624 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7079 0.4594 -0.0487 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3431 0.2950 0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5757 1.3520 -0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7864 1.2878 -0.1444 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6173 0.2131 -0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1133 -0.7666 -0.9206 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0160 0.3183 -0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4448 1.5105 0.5739 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7255 1.7139 0.9594 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6347 0.7049 0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2326 -0.4671 0.1649 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9052 -0.7054 -0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6018 -1.9676 -0.8474 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6003 -2.7921 -0.9578 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4487 -2.4898 -1.3388 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0496 -0.4685 0.8986 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4614 -1.6920 -0.2404 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7558 -1.6919 1.3849 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4309 0.9978 -1.1351 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6604 1.4644 -1.2239 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3183 0.4738 1.4204 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9635 -0.6985 0.0455 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9038 2.3756 -0.1628 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7856 1.2831 -1.5364 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7420 2.3337 0.7539 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0573 2.6608 1.4337 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6546 0.8804 1.0627 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0082 -1.2143 0.0338 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1122 -3.4338 -1.1953 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