Monomers
o-Methacryloylaminobenzenesulfonic acid
Identifiers
IUPAC name
2-(2-methylprop-2-enoylamino)benzenesulfonic acid
InchI
InChI=1S/C10H11NO4S/c1-7(2)10(12)11-8-5-3-4-6-9(8)16(13,14)15/h3-6H,1H2,2H3,(H,11,12)(H,13,14,15)
InchI Key
JLCBSYHZAFNVSC-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)Nc1ccccc1S(=O)(=O)O
Canonical SMILES
CC(=C)C(=O)NC1=CC=CC=C1S(=O)(=O)O
Isomeric SMILES
CC(=C)C(=O)NC1=CC=CC=C1S(=O)(=O)O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H11NO4S
Heavy Atom Count
16
Molecular Weight
241.268
Exact Molecular Weight
241.0409
Valence Electrons
86
Radical Electrons
0
tPSA
83.47
MolLogP
1.4479
H Bond Acceptors
3
H Bond Donors
2
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
27 27 0 0 0 0 0 0 0 0999 V2000
3.7999 -1.1586 -1.4633 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8788 -0.4758 -0.5201 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3916 0.2386 0.4303 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4467 -0.6361 -0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0490 -1.3651 -1.6740 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4682 -0.0443 0.1209 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9246 -0.1789 -0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6106 -0.8921 -0.9468 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0081 -0.9810 -1.0259 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7252 -0.2803 -0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0925 0.4723 0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7181 0.5157 0.9107 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9745 1.4857 2.1592 S 0 0 0 0 0 6 0 0 0 0 0 0
-0.0984 0.6317 3.0578 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1373 2.5680 1.5415 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1411 2.1792 3.1282 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3155 -1.2857 -2.4387 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1094 -2.1502 -1.0825 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7424 -0.5762 -1.6097 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7759 0.7572 1.1446 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4814 0.3528 0.5573 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8562 0.5583 0.9262 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0720 -1.4410 -1.6838 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4834 -1.5746 -1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8187 -0.3271 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6933 1.0080 1.6132 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8172 2.5998 2.5405 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 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
13 15 2 0
13 16 1 0
12 7 1 0
1 17 1 0
1 18 1 0
1 19 1 0
3 20 1 0
3 21 1 0
6 22 1 0
8 23 1 0
9 24 1 0
10 25 1 0
11 26 1 0
16 27 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers