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1251004-87-1 | 2-Azabicyclo[3.1.0]hexane-1,2-dicarboxylic acid, 2-(1,1-diMethylethyl) ester
CAS No: 1251004-87-1 Catalog No: AG000N5R MDL No:MFCD17016465
Product Description
Catalog Number:
AG000N5R
Chemical Name:
2-Azabicyclo[3.1.0]hexane-1,2-dicarboxylic acid, 2-(1,1-diMethylethyl) ester
CAS Number:
1251004-87-1
Molecular Formula:
C11H16NO4-
Molecular Weight:
226.2490
MDL Number:
MFCD17016465
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-1-carboxylic acid
InChI:
InChI=1S/C11H17NO4/c1-10(2,3)16-9(15)12-5-4-7-6-11(7,12)8(13)14/h7H,4-6H2,1-3H3,(H,13,14)
InChI Key:
ALUFNEQAPCLIBB-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2C1(C2)C(=O)[O-])OC(C)(C)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.26g/mol
Monoisotopic Mass:
227.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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