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
4.9297 1.9197 -1.1565 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5160 1.5309 -1.3456 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5895 2.4487 -1.4593 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1544 0.1200 -1.4054 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0515 -0.7704 -1.2954 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8648 -0.3209 -1.5787 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5175 -1.6976 -1.6363 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0324 -1.8831 -1.8331 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6193 -1.2866 -0.7538 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9618 -1.2323 -0.5499 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6126 -1.8194 -1.5060 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7335 -0.6462 0.5215 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1307 -0.7925 0.3836 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9834 -0.2892 1.3187 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4995 0.3805 2.4308 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1470 0.5248 2.5686 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2446 0.0090 1.6082 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8302 0.1979 1.8182 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4501 0.8356 2.8834 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1528 -0.2283 1.0062 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0740 3.0064 -1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5907 1.4843 -1.9412 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3124 1.4840 -0.1889 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5391 2.2406 -1.5991 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8639 3.4906 -1.4141 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0778 -2.2443 -2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7957 -2.1483 -0.6617 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3131 -1.4957 -2.8111 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1365 -2.9918 -1.8786 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5618 -1.3015 -0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0548 -0.4243 1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1982 0.7622 3.1440 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7141 1.0376 3.4153 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1292 0.1001 1.0374 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