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Home > Nitro Compounds > 85515-22-6
85515-22-6 | 6-HYDROXY-7-NITRO-1-INDANONE
CAS No: 85515-22-6 Catalog No: AG00G3E1 MDL No:
Product Description
Catalog Number:
AG00G3E1
Chemical Name:
6-HYDROXY-7-NITRO-1-INDANONE
CAS Number:
85515-22-6
IUPAC Name:
6-hydroxy-7-nitro-2,3-dihydroinden-1-one
InChI:
InChI=1S/C9H7NO4/c11-6-3-1-5-2-4-7(12)9(8(5)6)10(13)14/h2,4,12H,1,3H2
InChI Key:
OMSIDHRDOFJRKC-UHFFFAOYSA-N
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.158g/mol
Monoisotopic Mass:
193.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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