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30583-08-5 | Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-, compd. with piperazine (9CI)
CAS No: 30583-08-5 Catalog No: AG0030LQ MDL No:
Product Description
Catalog Number:
AG0030LQ
Chemical Name:
Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-, compd. with piperazine (9CI)
CAS Number:
30583-08-5
Molecular Formula:
C14H26N2O4S
Molecular Weight:
318.4322
IUPAC Name:
(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonic acid;piperazine
InChI:
InChI=1S/C10H16O4S.C4H10N2/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;1-2-6-4-3-5-1/h7H,3-6H2,1-2H3,(H,12,13,14);5-6H,1-4H2
InChI Key:
JSAZTUYNZHDFNH-UHFFFAOYSA-N
SMILES:
C1CNCCN1.O=C1CC2C([C@]1(CC2)CS(=O)(=O)O)(C)C
EC Number:
250-251-7
NSC Number:
37543
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.161g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
318.432g/mol
Monoisotopic Mass:
318.161g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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