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123024-72-6 | 4-Octanol, 4-nitrate
CAS No: 123024-72-6 Catalog No: AG000JYV MDL No:
Product Description
Catalog Number:
AG000JYV
Chemical Name:
4-Octanol, 4-nitrate
CAS Number:
123024-72-6
Molecular Formula:
C8H17NO3
Molecular Weight:
175.2255
IUPAC Name:
nitric acid;octan-4-ol
InChI:
InChI=1S/C8H18O.HNO3/c1-3-5-7-8(9)6-4-2;2-1(3)4/h8-9H,3-7H2,1-2H3;(H,2,3,4)
InChI Key:
KFSPLVTZFQYCMA-UHFFFAOYSA-N
SMILES:
CCCCC(O[N+](=O)[O-])CCC
Properties
Complexity:
77.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.243g/mol
Monoisotopic Mass:
193.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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