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
4.0873 0.4862 -0.6436 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8519 0.2470 0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9431 0.1224 1.4632 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5544 0.1609 -0.5606 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5680 0.2924 -1.7992 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3513 -0.0600 0.1125 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9295 -0.1579 -0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1854 -0.0572 -1.8267 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4569 -0.1641 -2.3422 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5117 -0.3786 -1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2821 -0.4834 -0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0297 -0.3776 0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7247 -0.5094 2.1065 S 0 0 0 0 0 6 0 0 0 0 0 0
-0.8523 -1.6912 2.3389 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0741 -0.7006 2.7794 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0347 0.9438 2.5738 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7105 -0.4367 -0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8397 0.8518 -1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6278 1.3091 -0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9349 0.1979 1.9257 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1263 -0.0503 2.1365 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4215 -0.1611 1.1543 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3703 0.1145 -2.5474 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6004 -0.0764 -3.4128 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5271 -0.4666 -1.8778 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1028 -0.6522 0.5398 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3350 1.6971 2.0011 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