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Home > Nitro Compounds > 6302-74-5
6302-74-5 | 1-Nitro-heptan-2-ol
CAS No: 6302-74-5 Catalog No: AG00JQCN MDL No:
Product Description
Catalog Number:
AG00JQCN
Chemical Name:
1-Nitro-heptan-2-ol
CAS Number:
6302-74-5
Molecular Formula:
C7H15NO3
Molecular Weight:
161.1989
IUPAC Name:
1-nitroheptan-2-ol
InChI:
InChI=1S/C7H15NO3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3
InChI Key:
VJCZJBJUAGHLEY-UHFFFAOYSA-N
SMILES:
CCCCCC(C[N+](=O)[O-])O
NSC Number:
41216
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.105g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.201g/mol
Monoisotopic Mass:
161.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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