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2625-37-8 | Heptane, 4-nitro-
CAS No: 2625-37-8 Catalog No: AG002SGB MDL No:
Product Description
Catalog Number:
AG002SGB
Chemical Name:
Heptane, 4-nitro-
CAS Number:
2625-37-8
Molecular Formula:
C7H15NO2
Molecular Weight:
145.1995
IUPAC Name:
4-nitroheptane
InChI:
InChI=1S/C7H15NO2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3
InChI Key:
VLLMCHZIPCTRHD-UHFFFAOYSA-N
SMILES:
CCCC([N+](=O)[O-])CCC
NSC Number:
3652
Properties
Complexity:
92.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.11g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.202g/mol
Monoisotopic Mass:
145.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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