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Home > Aldehydes > 1253654-82-8
1253654-82-8 | 4H-1-Benzopyran-3-carboxaldehyde, 8-nitro-4-oxo-
CAS No: 1253654-82-8 Catalog No: AG000NJ7 MDL No:MFCD17215771
Product Description
Catalog Number:
AG000NJ7
Chemical Name:
4H-1-Benzopyran-3-carboxaldehyde, 8-nitro-4-oxo-
CAS Number:
1253654-82-8
Molecular Formula:
C10H5NO5
Molecular Weight:
219.1504
MDL Number:
MFCD17215771
IUPAC Name:
8-nitro-4-oxochromene-3-carbaldehyde
InChI:
InChI=1S/C10H5NO5/c12-4-6-5-16-10-7(9(6)13)2-1-3-8(10)11(14)15/h1-5H
InChI Key:
PBTHIVFXYVXJAP-UHFFFAOYSA-N
SMILES:
O=Cc1coc2c(c1=O)cccc2[N+](=O)[O-]
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.017g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.152g/mol
Monoisotopic Mass:
219.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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