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Home > Nitro Compounds > 678159-66-5
678159-66-5 | 2H-1-Benzopyran-2-one, 7-nitroso-
CAS No: 678159-66-5 Catalog No: AG005PP5 MDL No:
Product Description
Catalog Number:
AG005PP5
Chemical Name:
2H-1-Benzopyran-2-one, 7-nitroso-
CAS Number:
678159-66-5
Molecular Formula:
C9H5NO3
Molecular Weight:
175.1409
IUPAC Name:
7-nitrosochromen-2-one
InChI:
InChI=1S/C9H5NO3/c11-9-4-2-6-1-3-7(10-12)5-8(6)13-9/h1-5H
InChI Key:
RPWZJWMPWNEEGU-UHFFFAOYSA-N
SMILES:
O=Nc1ccc2c(c1)oc(=O)cc2
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.027g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.143g/mol
Monoisotopic Mass:
175.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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