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Home > Nitro Compounds > 50386-60-2
50386-60-2 | 6-nitro-3,4-dihydro-2H-1-benzopyran
CAS No: 50386-60-2 Catalog No: AG01BELL MDL No:MFCD15527074
Product Description
Catalog Number:
AG01BELL
Chemical Name:
6-nitro-3,4-dihydro-2H-1-benzopyran
CAS Number:
50386-60-2
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD15527074
IUPAC Name:
6-nitro-3,4-dihydro-2H-chromene
InChI:
InChI=1S/C9H9NO3/c11-10(12)8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6H,1-2,5H2
InChI Key:
XEEPCXIOIGPEPA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)CCCO2
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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