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161157-50-2 | 7-Oxa-3-azabicyclo[4.1.0]heptane-3-carboxylic acid, 1,1-dimethylethyl ester
CAS No: 161157-50-2 Catalog No: AG001S7C MDL No:MFCD18632704
Product Description
Catalog Number:
AG001S7C
Chemical Name:
7-Oxa-3-azabicyclo[4.1.0]heptane-3-carboxylic acid, 1,1-dimethylethyl ester
CAS Number:
161157-50-2
Molecular Formula:
C10H17NO3
Molecular Weight:
199.2469
MDL Number:
MFCD18632704
IUPAC Name:
tert-butyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
InChI:
InChI=1S/C10H17NO3/c1-10(2,3)14-9(12)11-5-4-7-8(6-11)13-7/h7-8H,4-6H2,1-3H3
InChI Key:
MMPWHAJQEZIIEH-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2C(C1)O2)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:
42.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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