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114214-49-2 | 6-Oxa-3-azabicyclo[3.1.0]hexane-3-carboxylic acid, 1,1-dimethylethyl ester
CAS No: 114214-49-2 Catalog No: AG000AT0 MDL No:MFCD08691407
Product Description
Catalog Number:
AG000AT0
Chemical Name:
6-Oxa-3-azabicyclo[3.1.0]hexane-3-carboxylic acid, 1,1-dimethylethyl ester
CAS Number:
114214-49-2
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
MDL Number:
MFCD08691407
IUPAC Name:
tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate
InChI:
InChI=1S/C9H15NO3/c1-9(2,3)13-8(11)10-4-6-7(5-10)12-6/h6-7H,4-5H2,1-3H3
InChI Key:
NXZIGGBPLGAPTI-UHFFFAOYSA-N
SMILES:
O=C(N1CC2C(C1)O2)OC(C)(C)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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