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885966-97-2 | Phenanthrene-9-carboxamidoxime
CAS No: 885966-97-2 Catalog No: AG01FF3Y MDL No:MFCD28166167
Product Description
Catalog Number:
AG01FF3Y
Chemical Name:
Phenanthrene-9-carboxamidoxime
CAS Number:
885966-97-2
Molecular Formula:
C15H12N2O
Molecular Weight:
236.2686
MDL Number:
MFCD28166167
IUPAC Name:
N'-hydroxyphenanthrene-9-carboximidamide
InChI:
InChI=1S/C15H12N2O/c16-15(17-18)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,18H,(H2,16,17)
InChI Key:
ZDHLPYXRSPWJRR-UHFFFAOYSA-N
SMILES:
O/N=C(/c1cc2ccccc2c2c1cccc2)\N
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
236.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.274g/mol
Monoisotopic Mass:
236.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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