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Home > Nitro Compounds > 88226-56-6
88226-56-6 | Hexanoic acid, 2-(hydroxymethyl)-2-nitro-, ethyl ester
CAS No: 88226-56-6 Catalog No: AG004B7U MDL No:
Product Description
Catalog Number:
AG004B7U
Chemical Name:
Hexanoic acid, 2-(hydroxymethyl)-2-nitro-, ethyl ester
CAS Number:
88226-56-6
Molecular Formula:
C9H17NO5
Molecular Weight:
219.2350
IUPAC Name:
ethyl 2-(hydroxymethyl)-2-nitrohexanoate
InChI:
InChI=1S/C9H17NO5/c1-3-5-6-9(7-11,10(13)14)8(12)15-4-2/h11H,3-7H2,1-2H3
InChI Key:
CYBUTNIIFRJNSJ-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)OCC)([N+](=O)[O-])CO
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.237g/mol
Monoisotopic Mass:
219.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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