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1417695-29-4 | 2-(2,6-Dioxopiperidin-1-yl)ethane-1-sulfonic acid
CAS No: 1417695-29-4 Catalog No: AG01FMO0 MDL No:MFCD28369954
Product Description
Catalog Number:
AG01FMO0
Chemical Name:
2-(2,6-Dioxopiperidin-1-yl)ethane-1-sulfonic acid
CAS Number:
1417695-29-4
Molecular Formula:
C7H11NO5S
Molecular Weight:
221.2309
MDL Number:
MFCD28369954
IUPAC Name:
2-(2,6-dioxopiperidin-1-yl)ethanesulfonic acid
InChI:
InChI=1S/C7H11NO5S/c9-6-2-1-3-7(10)8(6)4-5-14(11,12)13/h1-5H2,(H,11,12,13)
InChI Key:
POSRCUWTKPXGRP-UHFFFAOYSA-N
SMILES:
O=C1CCCC(=O)N1CCS(=O)(=O)O
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.227g/mol
Monoisotopic Mass:
221.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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