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Home > Nitro Compounds > 129142-21-8
129142-21-8 | 2H-1-Benzopyran, 6,7-dimethoxy-3-nitro-
CAS No: 129142-21-8 Catalog No: AG000YW2 MDL No:MFCD19053245
Product Description
Catalog Number:
AG000YW2
Chemical Name:
2H-1-Benzopyran, 6,7-dimethoxy-3-nitro-
CAS Number:
129142-21-8
Molecular Formula:
C11H11NO5
Molecular Weight:
237.2087
MDL Number:
MFCD19053245
IUPAC Name:
6,7-dimethoxy-3-nitro-2H-chromene
InChI:
InChI=1S/C11H11NO5/c1-15-10-4-7-3-8(12(13)14)6-17-9(7)5-11(10)16-2/h3-5H,6H2,1-2H3
InChI Key:
NXGFJMDDTUXHDK-UHFFFAOYSA-N
SMILES:
COc1cc2C=C(COc2cc1OC)[N+](=O)[O-]
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.211g/mol
Monoisotopic Mass:
237.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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