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60222-80-2 | 5-(3-nitrophenoxy)pentan-1-ol
CAS No: 60222-80-2 Catalog No: AG01EWLZ MDL No:
Product Description
Catalog Number:
AG01EWLZ
Chemical Name:
5-(3-nitrophenoxy)pentan-1-ol
CAS Number:
60222-80-2
Molecular Formula:
C11H15NO4
Molecular Weight:
225.2411
IUPAC Name:
5-(3-nitrophenoxy)pentan-1-ol
InChI:
InChI=1S/C11H15NO4/c13-7-2-1-3-8-16-11-6-4-5-10(9-11)12(14)15/h4-6,9,13H,1-3,7-8H2
InChI Key:
GCBYZKCTCJVRPF-UHFFFAOYSA-N
SMILES:
OCCCCCOc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.244g/mol
Monoisotopic Mass:
225.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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