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Home > Nitro Compounds > 88738-48-1
88738-48-1 | Carbamic acid, (1-nitro-2-piperidinyl)-
CAS No: 88738-48-1 Catalog No: AG004CSO MDL No:
Product Description
Catalog Number:
AG004CSO
Chemical Name:
Carbamic acid, (1-nitro-2-piperidinyl)-
CAS Number:
88738-48-1
Molecular Formula:
C6H11N3O4
Molecular Weight:
189.1692
IUPAC Name:
(1-nitropiperidin-2-yl)carbamic acid
InChI:
InChI=1S/C6H11N3O4/c10-6(11)7-5-3-1-2-4-8(5)9(12)13/h5,7H,1-4H2,(H,10,11)
InChI Key:
LJKIXGCRFHVHPC-UHFFFAOYSA-N
SMILES:
OC(=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:
189.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.171g/mol
Monoisotopic Mass:
189.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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