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1174020-25-7 | 1,6-Diazabicyclo[3.2.1]octane-2-carboxylic acid, 7-oxo-6-(phenylmethoxy)-, (1R,2S,5R)-
CAS No: 1174020-25-7 Catalog No: AG000E8N MDL No:MFCD28502389
Product Description
Catalog Number:
AG000E8N
Chemical Name:
1,6-Diazabicyclo[3.2.1]octane-2-carboxylic acid, 7-oxo-6-(phenylmethoxy)-, (1R,2S,5R)-
CAS Number:
1174020-25-7
Molecular Formula:
C14H16N2O4
Molecular Weight:
276.2878
MDL Number:
MFCD28502389
IUPAC Name:
(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid
InChI:
InChI=1S/C14H16N2O4/c17-13(18)12-7-6-11-8-15(12)14(19)16(11)20-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,17,18)/t11-,12+/m1/s1
InChI Key:
UMHGLONVYIYIOU-NEPJUHHUSA-N
SMILES:
OC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
276.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.292g/mol
Monoisotopic Mass:
276.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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