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
5.6831 -0.5147 0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8679 -0.1162 -0.9644 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4591 0.0791 -2.1155 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4291 0.0449 -0.7932 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7062 0.3849 -1.7784 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8160 -0.1604 0.4119 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4254 -0.0217 0.6475 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6003 -0.9343 -0.1873 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7648 -0.7522 0.0898 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4768 0.3973 -0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7847 1.3886 -0.5691 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8741 0.6480 0.1774 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3769 1.9365 -0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6799 2.3043 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5283 1.3574 0.6143 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0693 0.1012 0.8901 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7293 -0.2819 0.6772 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3550 -1.6337 1.0034 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3052 -2.3727 1.4676 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1418 -2.2629 0.8980 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8132 0.3768 0.8614 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2382 -1.3752 0.7241 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7197 -0.7949 -0.1113 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5182 -0.0492 -2.2014 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9022 0.3683 -2.9871 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2814 -0.3516 1.7191 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1382 1.0285 0.6251 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8477 -1.9824 0.0847 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7275 -0.7565 -1.2838 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6932 2.6597 -0.4908 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0351 3.2909 -0.1069 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5581 1.6586 0.7758 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7534 -0.6200 1.2828 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0476 -3.2058 0.5075 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