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
3.1889 1.1179 0.5334 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8604 -0.2593 0.9766 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8030 -0.9781 1.5302 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5263 -0.8474 0.8206 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3221 -2.0001 1.2127 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4668 -0.1143 0.2270 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8514 -0.5514 0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3753 -1.7596 0.3594 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7144 -2.0819 0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5620 -1.1886 -0.5072 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0412 0.0350 -0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7247 0.3505 -0.6051 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1518 1.9227 -1.0920 S 0 0 0 0 0 6 0 0 0 0 0 0
0.0242 1.8409 -2.0272 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7125 2.6539 0.1558 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4233 2.7656 -1.7795 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3665 1.8397 0.7246 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3151 1.0653 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1498 1.4353 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8129 -0.6279 1.6856 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5747 -1.9777 1.8548 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7621 0.8685 -0.0699 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7677 -2.5003 0.8389 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1255 -3.0455 0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6103 -1.4275 -0.7129 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7094 0.7478 -1.3421 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4033 2.7165 -2.7833 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