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1260671-42-8 | 2H-Pyran-4-amine, tetrahydro-4-(4-nitrophenyl)-
CAS No: 1260671-42-8 Catalog No: AG000R0Y MDL No:
Product Description
Catalog Number:
AG000R0Y
Chemical Name:
2H-Pyran-4-amine, tetrahydro-4-(4-nitrophenyl)-
CAS Number:
1260671-42-8
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
IUPAC Name:
4-(4-nitrophenyl)oxan-4-amine
InChI:
InChI=1S/C11H14N2O3/c12-11(5-7-16-8-6-11)9-1-3-10(4-2-9)13(14)15/h1-4H,5-8,12H2
InChI Key:
UBPZPTHVZOVIGL-UHFFFAOYSA-N
SMILES:
NC1(CCOCC1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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