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Home > Nitro Compounds > 68043-53-8
68043-53-8 | 4H-1-Benzopyran-4-one, 2,3-dihydro-6-nitro-
CAS No: 68043-53-8 Catalog No: AG00IBSC MDL No:MFCD04038185
Product Description
Catalog Number:
AG00IBSC
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-6-nitro-
CAS Number:
68043-53-8
Molecular Formula:
C9H7NO4
Molecular Weight:
193.1562
MDL Number:
MFCD04038185
IUPAC Name:
6-nitro-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C9H7NO4/c11-8-3-4-14-9-2-1-6(10(12)13)5-7(8)9/h1-2,5H,3-4H2
InChI Key:
KUAWMWVXZMQZLD-UHFFFAOYSA-N
SMILES:
O=C1CCOc2c1cc(cc2)[N+](=O)[O-]
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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