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
3.0987 1.2565 -1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9708 0.4729 0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0402 0.2942 0.9089 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6989 -0.1224 0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6720 -0.7749 1.7024 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5128 0.0271 -0.0997 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7517 -0.4751 0.2112 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0579 -1.2202 1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3468 -1.7040 1.6002 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3693 -1.4348 0.7279 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0783 -0.6889 -0.3955 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8099 -0.2229 -0.6475 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 0.7161 -2.0828 S 0 0 0 0 0 6 0 0 0 0 0 0
-0.9948 2.0985 -1.7641 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4723 0.0431 -2.9792 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9127 0.8911 -2.9561 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7413 2.2852 -0.8525 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4548 0.7791 -1.8645 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1605 1.2836 -1.3918 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0206 0.7111 0.6216 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9735 -0.2710 1.8178 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6232 0.5988 -0.9975 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3010 -1.4674 2.0528 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5539 -2.2819 2.4782 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3770 -1.7848 0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8970 -0.4887 -1.0682 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5590 1.4798 -2.4952 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