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87517-45-1 | Pentanedioic acid, 2-azido-, 1-(1,1-dimethylethyl) 5-methyl ester
CAS No: 87517-45-1 Catalog No: AG004DJN MDL No:
Product Description
Catalog Number:
AG004DJN
Chemical Name:
Pentanedioic acid, 2-azido-, 1-(1,1-dimethylethyl) 5-methyl ester
CAS Number:
87517-45-1
Molecular Formula:
C10H17N3O4
Molecular Weight:
243.2597
IUPAC Name:
1-O-tert-butyl 5-O-methyl 2-azidopentanedioate
InChI:
InChI=1S/C10H17N3O4/c1-10(2,3)17-9(15)7(12-13-11)5-6-8(14)16-4/h7H,5-6H2,1-4H3
InChI Key:
NZKUVHNZKMPRQY-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NC(C(=O)OC(C)(C)C)CCC(=O)OC
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.263g/mol
Monoisotopic Mass:
243.122g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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