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
6.1110 -0.7420 -0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1445 0.3930 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5712 1.6183 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7591 0.1495 0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3112 -0.9962 0.6726 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8927 1.2098 0.5236 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5524 1.1584 0.8695 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6890 0.3415 -0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6589 0.3987 0.4831 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6997 -0.2911 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3085 -0.9072 -1.1661 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0175 -0.1775 0.4028 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1451 0.6164 1.5689 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3735 0.7622 2.1595 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4697 0.1479 1.6307 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3659 -0.6241 0.5033 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1159 -0.7913 -0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0901 -1.6150 -1.3009 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2026 -2.1295 -1.6830 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0271 -1.9344 -2.0861 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0994 -0.3485 0.3096 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8506 -1.5783 0.6067 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1939 -1.1241 -1.0869 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6059 1.7841 -0.4846 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8609 2.4266 -0.1163 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4664 0.8455 1.9406 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1582 2.2118 0.8515 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6414 0.8136 -1.0198 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0547 -0.6998 -0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2879 1.1085 1.9989 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4921 1.3660 3.0529 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4425 0.2575 2.0901 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2212 -1.1193 0.0682 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0446 -2.5310 -2.8919 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