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88184-85-4

88184-85-4 | 2H-1-Benzopyran-2-one, 6-methoxy-3-nitro-

CAS No: 88184-85-4 Catalog No: AG004CDX MDL No:

Product Description

Catalog Number:
AG004CDX
Chemical Name:
2H-1-Benzopyran-2-one, 6-methoxy-3-nitro-
CAS Number:
88184-85-4
Molecular Formula:
C10H7NO5
Molecular Weight:
221.1663
IUPAC Name:
6-methoxy-3-nitrochromen-2-one
InChI:
InChI=1S/C10H7NO5/c1-15-7-2-3-9-6(4-7)5-8(11(13)14)10(12)16-9/h2-5H,1H3
InChI Key:
KPUDEBDVRHIZLR-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc(c(=O)o2)[N+](=O)[O-]

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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