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Home > Nitro Compounds > 178262-27-6
178262-27-6 | 2H-1-Benzopyran-3(4H)-one, 6-nitro-
CAS No: 178262-27-6 Catalog No: AG0025VS MDL No:MFCD18382529
Product Description
Catalog Number:
AG0025VS
Chemical Name:
2H-1-Benzopyran-3(4H)-one, 6-nitro-
CAS Number:
178262-27-6
Molecular Formula:
C9H7NO4
Molecular Weight:
193.1562
MDL Number:
MFCD18382529
IUPAC Name:
6-nitro-4H-chromen-3-one
InChI:
InChI=1S/C9H7NO4/c11-8-4-6-3-7(10(12)13)1-2-9(6)14-5-8/h1-3H,4-5H2
InChI Key:
NTTRJNRYLGEOEQ-UHFFFAOYSA-N
SMILES:
O=C1COc2c(C1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
260
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:
0
Isotope Atom Count:
0
Molecular Weight:
193.158g/mol
Monoisotopic Mass:
193.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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