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1622903-52-9 | 3-Azabicyclo[3.1.0]hexane-3-carboxylic acid, 1-formyl-, 1,1-dimethylethyl ester
CAS No: 1622903-52-9 Catalog No: AG001SYX MDL No:MFCD24532440
Product Description
Catalog Number:
AG001SYX
Chemical Name:
3-Azabicyclo[3.1.0]hexane-3-carboxylic acid, 1-formyl-, 1,1-dimethylethyl ester
CAS Number:
1622903-52-9
Molecular Formula:
C11H17NO3
Molecular Weight:
211.2576
MDL Number:
MFCD24532440
IUPAC Name:
tert-butyl 1-formyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
InChI:
InChI=1S/C11H17NO3/c1-10(2,3)15-9(14)12-5-8-4-11(8,6-12)7-13/h7-8H,4-6H2,1-3H3
InChI Key:
PUTOENHGHDTSSY-UHFFFAOYSA-N
SMILES:
O=CC12CN(CC2C1)C(=O)OC(C)(C)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.261g/mol
Monoisotopic Mass:
211.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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