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Home > Nitro Compounds > 88738-49-2
88738-49-2 | Urea, (1-nitro-2-piperidinyl)-
CAS No: 88738-49-2 Catalog No: AG004CSN MDL No:
Product Description
Catalog Number:
AG004CSN
Chemical Name:
Urea, (1-nitro-2-piperidinyl)-
CAS Number:
88738-49-2
Molecular Formula:
C6H12N4O3
Molecular Weight:
188.1845
IUPAC Name:
(1-nitropiperidin-2-yl)urea
InChI:
InChI=1S/C6H12N4O3/c7-6(11)8-5-3-1-2-4-9(5)10(12)13/h5H,1-4H2,(H3,7,8,11)
InChI Key:
KQECUUAYHLZENT-UHFFFAOYSA-N
SMILES:
NC(=O)NC1CCCCN1[N+](=O)[O-]
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.091g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.187g/mol
Monoisotopic Mass:
188.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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