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122323-85-7 | 2-Piperazinemethanol, 1,4-dinitroso-
CAS No: 122323-85-7 Catalog No: AG00173S MDL No:
Product Description
Catalog Number:
AG00173S
Chemical Name:
2-Piperazinemethanol, 1,4-dinitroso-
CAS Number:
122323-85-7
Molecular Formula:
C5H10N4O3
Molecular Weight:
174.1579
IUPAC Name:
(1,4-dinitrosopiperazin-2-yl)methanol
InChI:
InChI=1S/C5H10N4O3/c10-4-5-3-8(6-11)1-2-9(5)7-12/h5,10H,1-4H2
InChI Key:
FBPYJSMBKYZRJE-UHFFFAOYSA-N
SMILES:
O=NN1CCN(C(C1)CO)N=O
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.075g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.16g/mol
Monoisotopic Mass:
174.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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