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1437794-84-7 | 2-Oxo-3,4-dihydro-1H-quinoline-6-sulfonic acid hydrate
CAS No: 1437794-84-7 Catalog No: AG00AQJM MDL No:MFCD24448809
Product Description
Catalog Number:
AG00AQJM
Chemical Name:
2-Oxo-3,4-dihydro-1H-quinoline-6-sulfonic acid hydrate
CAS Number:
1437794-84-7
Molecular Formula:
C9H11NO5S
Molecular Weight:
245.2523
MDL Number:
MFCD24448809
IUPAC Name:
2-oxo-3,4-dihydro-1H-quinoline-6-sulfonic acid;hydrate
InChI:
InChI=1S/C9H9NO4S.H2O/c11-9-4-1-6-5-7(15(12,13)14)2-3-8(6)10-9;/h2-3,5H,1,4H2,(H,10,11)(H,12,13,14);1H2
InChI Key:
RCIRKOPYWNTAJF-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(N1)ccc(c2)S(=O)(=O)O.O
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
245.249g/mol
Monoisotopic Mass:
245.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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