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1262407-18-0 | 3,6-Diazabicyclo[3.1.0]hexane-3-carboxylic acid, 1,1-dimethylethyl ester
CAS No: 1262407-18-0 Catalog No: AG000SE6 MDL No:MFCD18909272
Product Description
Catalog Number:
AG000SE6
Chemical Name:
3,6-Diazabicyclo[3.1.0]hexane-3-carboxylic acid, 1,1-dimethylethyl ester
CAS Number:
1262407-18-0
Molecular Formula:
C9H16N2O2
Molecular Weight:
184.2355
MDL Number:
MFCD18909272
IUPAC Name:
tert-butyl 3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
InChI:
InChI=1S/C9H16N2O2/c1-9(2,3)13-8(12)11-4-6-7(5-11)10-6/h6-7,10H,4-5H2,1-3H3
InChI Key:
NESJIKNHKZMHND-UHFFFAOYSA-N
SMILES:
O=C(N1CC2C(C1)N2)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:
184.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.239g/mol
Monoisotopic Mass:
184.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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