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Home > Nitro Compounds > 142116-88-9
142116-88-9 | 2-Propanol, 1-(2-hydroxyethoxy)-3-nitro-
CAS No: 142116-88-9 Catalog No: AG001HTN MDL No:
Product Description
Catalog Number:
AG001HTN
Chemical Name:
2-Propanol, 1-(2-hydroxyethoxy)-3-nitro-
CAS Number:
142116-88-9
Molecular Formula:
C5H11NO5
Molecular Weight:
165.1445
IUPAC Name:
1-(2-hydroxyethoxy)-3-nitropropan-2-ol
InChI:
InChI=1S/C5H11NO5/c7-1-2-11-4-5(8)3-6(9)10/h5,7-8H,1-4H2
InChI Key:
UGNMHAAVVMHERF-UHFFFAOYSA-N
SMILES:
OCCOCC(C[N+](=O)[O-])O
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.145g/mol
Monoisotopic Mass:
165.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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