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114676-79-8 | 2-Oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid, 1,1-dimethylethyl ester, (1R,4R)-
CAS No: 114676-79-8 Catalog No: AG000F0X MDL No:MFCD08693704
Product Description
Catalog Number:
AG000F0X
Chemical Name:
2-Oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid, 1,1-dimethylethyl ester, (1R,4R)-
CAS Number:
114676-79-8
Molecular Formula:
C10H17NO3
Molecular Weight:
199.2469
MDL Number:
MFCD08693704
IUPAC Name:
tert-butyl 2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
InChI:
InChI=1S/C10H17NO3/c1-10(2,3)14-9(12)11-5-8-4-7(11)6-13-8/h7-8H,4-6H2,1-3H3
InChI Key:
UETGVFOVBKMLPQ-UHFFFAOYSA-N
SMILES:
O=C(N1C[C@H]2C[C@@H]1CO2)OC(C)(C)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.25g/mol
Monoisotopic Mass:
199.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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