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20920-99-4

20920-99-4 | 2H-1-Benzopyran-2-one, 3,4-dihydro-6-nitro-

CAS No: 20920-99-4 Catalog No: AG002K3E MDL No:

Product Description

Catalog Number:
AG002K3E
Chemical Name:
2H-1-Benzopyran-2-one, 3,4-dihydro-6-nitro-
CAS Number:
20920-99-4
Molecular Formula:
C9H7NO4
Molecular Weight:
193.1562
IUPAC Name:
6-nitro-3,4-dihydrochromen-2-one
InChI:
InChI=1S/C9H7NO4/c11-9-4-1-6-5-7(10(12)13)2-3-8(6)14-9/h2-3,5H,1,4H2
InChI Key:
GOHGBRHKCJJPJO-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(O1)ccc(c2)[N+](=O)[O-]
NSC Number:
105511

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:
1.5  

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