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
5.8185 -0.1906 0.5498 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9433 0.9582 0.2313 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4654 2.1374 -0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4805 0.7589 0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7108 1.7185 -0.0187 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9228 -0.4554 0.5497 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5502 -0.7550 0.5898 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9642 -0.5549 -0.7639 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4103 -0.8206 -0.8788 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3975 -0.1053 -0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9058 0.7613 0.5722 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7736 -0.4777 -0.3569 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0646 -1.5102 -1.2499 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3484 -1.9197 -1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3960 -1.3191 -0.8661 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1365 -0.3083 0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8187 0.1277 0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6811 1.1935 1.2167 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6382 1.7354 1.6076 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8482 1.7344 1.8028 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8460 0.1060 0.7588 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7460 -0.9193 -0.2864 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4280 -0.7011 1.4513 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8482 2.9860 -0.2965 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5358 2.2663 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4892 -1.8408 0.9041 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0472 -0.1222 1.3704 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4601 -1.2945 -1.4533 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2146 0.4318 -1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2732 -2.0206 -1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5646 -2.7183 -2.1886 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4336 -1.6364 -1.0537 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9813 0.1612 0.5061 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7991 2.5934 2.3653 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