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Home > Nitro Compounds > 88238-96-4
88238-96-4 | Hexanoic acid, 5-hydroxy-2-(hydroxymethyl)-2-nitro-, methyl ester
CAS No: 88238-96-4 Catalog No: AG004CUX MDL No:
Product Description
Catalog Number:
AG004CUX
Chemical Name:
Hexanoic acid, 5-hydroxy-2-(hydroxymethyl)-2-nitro-, methyl ester
CAS Number:
88238-96-4
Molecular Formula:
C8H15NO6
Molecular Weight:
221.2078
IUPAC Name:
methyl 5-hydroxy-2-(hydroxymethyl)-2-nitrohexanoate
InChI:
InChI=1S/C8H15NO6/c1-6(11)3-4-8(5-10,9(13)14)7(12)15-2/h6,10-11H,3-5H2,1-2H3
InChI Key:
UZVHKUCZGCQRJU-UHFFFAOYSA-N
SMILES:
COC(=O)C([N+](=O)[O-])(CCC(O)C)CO
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.209g/mol
Monoisotopic Mass:
221.09g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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