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Home > Nitro Compounds > 88226-54-4
88226-54-4 | Pentanoic acid, 2-(hydroxymethyl)-2-nitro-, ethyl ester
CAS No: 88226-54-4 Catalog No: AG004BF7 MDL No:
Product Description
Catalog Number:
AG004BF7
Chemical Name:
Pentanoic acid, 2-(hydroxymethyl)-2-nitro-, ethyl ester
CAS Number:
88226-54-4
Molecular Formula:
C8H15NO5
Molecular Weight:
205.2084
IUPAC Name:
ethyl 2-(hydroxymethyl)-2-nitropentanoate
InChI:
InChI=1S/C8H15NO5/c1-3-5-8(6-10,9(12)13)7(11)14-4-2/h10H,3-6H2,1-2H3
InChI Key:
LLFYTIJINWRPFF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C([N+](=O)[O-])(CCC)CO
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.21g/mol
Monoisotopic Mass:
205.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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