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55620-55-8 | 3-(2-nitroimidazol-1-yl)propan-1-ol
CAS No: 55620-55-8 Catalog No: AG00E5PK MDL No:
Product Description
Catalog Number:
AG00E5PK
Chemical Name:
3-(2-nitroimidazol-1-yl)propan-1-ol
CAS Number:
55620-55-8
IUPAC Name:
3-(2-nitroimidazol-1-yl)propan-1-ol
InChI:
InChI=1S/C6H9N3O3/c10-5-1-3-8-4-2-7-6(8)9(11)12/h2,4,10H,1,3,5H2
InChI Key:
MYVTUHZISIPWLL-UHFFFAOYSA-N
NSC Number:
302985
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.156g/mol
Monoisotopic Mass:
171.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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