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1159733-10-4 | 2H-Tetrazole, 5-(3R)-3-pyrrolidinyl-
CAS No: 1159733-10-4 Catalog No: AG000H90 MDL No:
Product Description
Catalog Number:
AG000H90
Chemical Name:
2H-Tetrazole, 5-(3R)-3-pyrrolidinyl-
CAS Number:
1159733-10-4
Molecular Formula:
C5H9N5
Molecular Weight:
139.1585
IUPAC Name:
5-[(3R)-pyrrolidin-3-yl]-2H-tetrazole
InChI:
InChI=1S/C5H9N5/c1-2-6-3-4(1)5-7-9-10-8-5/h4,6H,1-3H2,(H,7,8,9,10)/t4-/m1/s1
InChI Key:
VYQMPDFYNWSLGY-SCSAIBSYSA-N
SMILES:
C1NC[C@@H](C1)c1n[nH]nn1
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
139.086g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
139.162g/mol
Monoisotopic Mass:
139.086g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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