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Home > Nitro Compounds > 77428-18-3
77428-18-3 | 1-nitrosoazepan-3-ol
CAS No: 77428-18-3 Catalog No: AG005BDL MDL No:
Product Description
Catalog Number:
AG005BDL
Chemical Name:
1-nitrosoazepan-3-ol
CAS Number:
77428-18-3
Molecular Formula:
C6H12N2O2
Molecular Weight:
144.1717
IUPAC Name:
1-nitrosoazepan-3-ol
InChI:
InChI=1S/C6H12N2O2/c9-6-3-1-2-4-8(5-6)7-10/h6,9H,1-5H2
InChI Key:
AEEHNHHXHZWHGB-UHFFFAOYSA-N
SMILES:
O=NN1CCCCC(C1)O
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.09g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.174g/mol
Monoisotopic Mass:
144.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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