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Home > Nitro Compounds > 138479-04-6
138479-04-6 | Phosphonic acid, (1-cyclohexyl-1-hydroxy-2-nitroethyl)- (9CI)
CAS No: 138479-04-6 Catalog No: AG00198C MDL No:
Product Description
Catalog Number:
AG00198C
Chemical Name:
Phosphonic acid, (1-cyclohexyl-1-hydroxy-2-nitroethyl)- (9CI)
CAS Number:
138479-04-6
Molecular Formula:
C8H16NO6P
Molecular Weight:
253.1895
IUPAC Name:
(1-cyclohexyl-1-hydroxy-2-nitroethyl)phosphonic acid
InChI:
InChI=1S/C8H16NO6P/c10-8(6-9(11)12,16(13,14)15)7-4-2-1-3-5-7/h7,10H,1-6H2,(H2,13,14,15)
InChI Key:
NQXSGRVOZZGMSD-UHFFFAOYSA-N
SMILES:
OC(P(=O)(O)O)(C1CCCCC1)C[N+](=O)[O-]
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
253.191g/mol
Monoisotopic Mass:
253.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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