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1222996-05-5 | 8-Azabicyclo[3.2.1]octane-3,8-dicarboxylic acid, 8-(1,1-dimethylethyl) ester, (3-endo)-
CAS No: 1222996-05-5 Catalog No: AG00172B MDL No:MFCD17214354
Product Description
Catalog Number:
AG00172B
Chemical Name:
8-Azabicyclo[3.2.1]octane-3,8-dicarboxylic acid, 8-(1,1-dimethylethyl) ester, (3-endo)-
CAS Number:
1222996-05-5
MDL Number:
MFCD17214354
IUPAC Name:
(1R,5S)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octane-3-carboxylic acid
InChI:
InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-9-4-5-10(14)7-8(6-9)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)/t8?,9-,10+
InChI Key:
HKXICUDOIXLKLJ-PBINXNQUSA-N
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
255.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.314g/mol
Monoisotopic Mass:
255.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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