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Home > Nitro Compounds > 42009-76-7
42009-76-7 | 3-(4-nitrophenyl)adamantan-1-ol
CAS No: 42009-76-7 Catalog No: AG01AHED MDL No:
Product Description
Catalog Number:
AG01AHED
Chemical Name:
3-(4-nitrophenyl)adamantan-1-ol
CAS Number:
42009-76-7
Molecular Formula:
C16H19NO3
Molecular Weight:
273.3270
IUPAC Name:
3-(4-nitrophenyl)adamantan-1-ol
InChI:
InChI=1S/C16H19NO3/c18-16-8-11-5-12(9-16)7-15(6-11,10-16)13-1-3-14(4-2-13)17(19)20/h1-4,11-12,18H,5-10H2
InChI Key:
OLDMLYOVKIBLLL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C12CC3CC(C1)CC(C2)(C3)O
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.136g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.332g/mol
Monoisotopic Mass:
273.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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