200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 1339953-58-0
1339953-58-0 | 6-Oxa-3-azabicyclo[3.1.1]heptane 4-methylbenzenesulfonate
CAS No: 1339953-58-0 Catalog No: AG003ABJ MDL No:MFCD27665413
Product Description
Catalog Number:
AG003ABJ
Chemical Name:
6-Oxa-3-azabicyclo[3.1.1]heptane 4-methylbenzenesulfonate
CAS Number:
1339953-58-0
Molecular Formula:
C12H17NO4S
Molecular Weight:
271.3327
MDL Number:
MFCD27665413
IUPAC Name:
4-methylbenzenesulfonic acid;6-oxa-3-azabicyclo[3.1.1]heptane
InChI:
InChI=1S/C7H8O3S.C5H9NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-4-2-6-3-5(1)7-4/h2-5H,1H3,(H,8,9,10);4-6H,1-3H2
InChI Key:
GQPGLNRUOSQXDM-UHFFFAOYSA-N
SMILES:
N1CC2CC(C1)O2.Cc1ccc(cc1)S(=O)(=O)O
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.331g/mol
Monoisotopic Mass:
271.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.