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Home > Nitro Compounds > 79515-54-1
79515-54-1 | 2-Hydroxy-3-nitroso-alpha-carboline
CAS No: 79515-54-1 Catalog No: AG00GEU8 MDL No:
Product Description
Catalog Number:
AG00GEU8
Chemical Name:
2-Hydroxy-3-nitroso-alpha-carboline
CAS Number:
79515-54-1
IUPAC Name:
3-nitroso-1,9-dihydropyrido[2,3-b]indol-2-one
InChI:
InChI=1S/C11H7N3O2/c15-11-9(14-16)5-7-6-3-1-2-4-8(6)12-10(7)13-11/h1-5H,(H2,12,13,15)
InChI Key:
SOHXBFNBFOAFCP-UHFFFAOYSA-N
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.054g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.196g/mol
Monoisotopic Mass:
213.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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