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
3.0089 -1.2948 0.8727 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9727 -2.2540 0.4119 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2669 -3.5337 0.3707 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6403 -1.8244 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1789 -2.6752 -0.3718 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3148 -0.4556 0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9110 0.1425 -0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0037 -0.5428 -0.7923 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1973 0.1106 -1.1366 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3172 1.4661 -1.0034 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2397 2.1734 -0.5237 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0540 1.5125 -0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2946 2.4381 0.4328 S 0 0 0 0 0 6 0 0 0 0 0 0
1.4435 2.3042 -0.5192 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7217 1.9669 1.7952 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1043 4.0854 0.4784 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0063 -0.4497 0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0199 -1.7112 0.8369 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8303 -0.9234 1.8902 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5660 -4.2911 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2469 -3.8649 0.6692 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0910 0.1978 0.3796 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9510 -1.6225 -0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0397 -0.4459 -1.5119 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2239 2.0149 -1.2582 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2698 3.2487 -0.3946 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9332 4.2281 1.0044 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