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1-NITROPENTANE

CAS No.:
628-05-7
Catalog Number:
AG00EFP8
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00EFP8
Chemical Name:
1-NITROPENTANE
CAS Number:
628-05-7
MDL Number:
MFCD00007410
IUPAC Name:
1-nitropentane
InChI:
InChI=1S/C5H11NO2/c1-2-3-4-5-6(7)8/h2-5H2,1H3
InChI Key:
BVALZCVRLDMXOQ-UHFFFAOYSA-N
EC Number:
211-025-3
UNII:
AU9UDR808R
NSC Number:
3645
Properties
Complexity:
67.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.079g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
117.148g/mol
Monoisotopic Mass:
117.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Vibrational spectroscopy of nitroalkane chains using electron autodetachment and ar predissociation. The journal of physical chemistry. A 20080821
Properties