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
5.5621 -1.2782 -0.5495 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9495 -0.4115 0.4776 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6629 0.0685 1.4951 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5449 -0.0809 0.3704 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0030 0.6479 1.2227 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8060 -0.5777 -0.6829 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4448 -0.3234 -0.8845 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5781 -0.7925 0.2433 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7792 -0.5492 0.0621 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4351 0.6144 -0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6361 1.6459 -0.0742 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8288 0.9208 -0.2906 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2085 2.2795 -0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5115 2.6677 -0.6179 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4948 1.6994 -0.6699 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1666 0.3684 -0.5367 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8159 -0.0105 -0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5835 -1.4177 -0.2188 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5884 -2.2153 -0.2854 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3901 -2.0727 -0.0276 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0021 -1.1593 -1.4855 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6506 -1.0744 -0.6799 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3908 -2.3389 -0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2021 0.6956 2.2307 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7054 -0.1552 1.6068 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2223 0.7282 -1.1206 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1512 -0.9010 -1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9147 -0.3949 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7043 -1.9073 0.3098 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4405 3.0482 -0.3923 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8106 3.6870 -0.7257 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5512 1.9658 -0.8173 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9312 -0.3945 -0.5765 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3227 -2.9823 0.4234 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