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
6.0955 -0.5648 1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1210 -0.0971 0.4806 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5140 0.2692 -0.7175 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7196 -0.0445 0.8233 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2745 -0.3824 1.9574 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8128 0.3944 -0.1258 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4322 0.4531 0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6979 0.9557 -1.0024 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6724 1.0330 -0.7341 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5073 -0.0277 -0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9763 -1.1262 -0.3577 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8992 0.2398 -0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3578 1.5781 -0.2558 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6414 1.9405 -0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5496 0.9786 0.2835 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1438 -0.3132 0.3852 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8132 -0.7297 0.1699 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4692 -2.1149 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4041 -2.7165 0.1654 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5399 -2.9894 0.6435 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6988 -1.3427 2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3894 0.3085 2.1289 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0214 -0.9593 1.0261 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5574 0.2396 -1.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8149 0.6136 -1.4666 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2466 1.1667 1.0305 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0758 -0.5521 0.4544 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9256 0.3420 -1.9065 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0035 1.9914 -1.2958 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5772 2.3092 -0.5223 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9464 2.9617 -0.1262 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5907 1.2618 0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8671 -1.0834 0.6454 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4455 -3.9933 0.5521 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