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863646-43-9 | 4-Morpholinecarboxylic acid, 3-(1H-tetrazol-5-yl)-, 1,1-dimethylethylester
CAS No: 863646-43-9 Catalog No: AG01FMJ1 MDL No:MFCD26939207
Product Description
Catalog Number:
AG01FMJ1
Chemical Name:
4-Morpholinecarboxylic acid, 3-(1H-tetrazol-5-yl)-, 1,1-dimethylethylester
CAS Number:
863646-43-9
Molecular Formula:
C10H17N5O3
Molecular Weight:
255.2737
MDL Number:
MFCD26939207
IUPAC Name:
tert-butyl 3-(2H-tetrazol-5-yl)morpholine-4-carboxylate
InChI:
InChI=1S/C10H17N5O3/c1-10(2,3)18-9(16)15-4-5-17-6-7(15)8-11-13-14-12-8/h7H,4-6H2,1-3H3,(H,11,12,13,14)
InChI Key:
QQLMQFGGRRFIIA-UHFFFAOYSA-N
SMILES:
O=C(N1CCOCC1c1nnn[nH]1)OC(C)(C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.133g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.278g/mol
Monoisotopic Mass:
255.133g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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