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Home > Nitro Compounds > 88184-86-5
88184-86-5 | 2H-1-Benzopyran-2-one, 5-methoxy-3-nitro-
CAS No: 88184-86-5 Catalog No: AG004CF4 MDL No:
Product Description
Catalog Number:
AG004CF4
Chemical Name:
2H-1-Benzopyran-2-one, 5-methoxy-3-nitro-
CAS Number:
88184-86-5
Molecular Formula:
C10H7NO5
Molecular Weight:
221.1663
IUPAC Name:
5-methoxy-3-nitrochromen-2-one
InChI:
InChI=1S/C10H7NO5/c1-15-8-3-2-4-9-6(8)5-7(11(13)14)10(12)16-9/h2-5H,1H3
InChI Key:
XQDBMOLTPZGPFT-UHFFFAOYSA-N
SMILES:
COc1cccc2c1cc([N+](=O)[O-])c(=O)o2
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.032g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.168g/mol
Monoisotopic Mass:
221.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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