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10242-15-6 | 2H-1-Benzopyran-3-carboxylic acid, 6-nitro-2-oxo-
CAS No: 10242-15-6 Catalog No: AG0007FC MDL No:MFCD00052754
Product Description
Catalog Number:
AG0007FC
Chemical Name:
2H-1-Benzopyran-3-carboxylic acid, 6-nitro-2-oxo-
CAS Number:
10242-15-6
Molecular Formula:
C10H5NO6
Molecular Weight:
235.1498
MDL Number:
MFCD00052754
IUPAC Name:
6-nitro-2-oxochromene-3-carboxylic acid
InChI:
InChI=1S/C10H5NO6/c12-9(13)7-4-5-3-6(11(15)16)1-2-8(5)17-10(7)14/h1-4H,(H,12,13)
InChI Key:
VZOCWMKJXRWWFI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]
NSC Number:
74856
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.012g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.151g/mol
Monoisotopic Mass:
235.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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