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Home > Nitro Compounds > 717852-01-2
717852-01-2 | 5-Pyrimidinol, hexahydro-2-(nitromethylene)- (9CI)
CAS No: 717852-01-2 Catalog No: AG00FXZ2 MDL No:
Product Description
Catalog Number:
AG00FXZ2
Chemical Name:
5-Pyrimidinol, hexahydro-2-(nitromethylene)- (9CI)
CAS Number:
717852-01-2
IUPAC Name:
2-(nitromethylidene)-1,3-diazinan-5-ol
InChI:
InChI=1S/C5H9N3O3/c9-4-1-6-5(7-2-4)3-8(10)11/h3-4,6-7,9H,1-2H2
InChI Key:
NJMDBJMWBSSTCW-UHFFFAOYSA-N
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
159.145g/mol
Monoisotopic Mass:
159.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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