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Home > Nitro Compounds > 88252-60-2
88252-60-2 | 2H-1-Benzopyran, 8-methoxy-2-(4-methylphenyl)-3-nitro-
CAS No: 88252-60-2 Catalog No: AG004CH3 MDL No:
Product Description
Catalog Number:
AG004CH3
Chemical Name:
2H-1-Benzopyran, 8-methoxy-2-(4-methylphenyl)-3-nitro-
CAS Number:
88252-60-2
Molecular Formula:
C17H15NO4
Molecular Weight:
297.3053
IUPAC Name:
8-methoxy-2-(4-methylphenyl)-3-nitro-2H-chromene
InChI:
InChI=1S/C17H15NO4/c1-11-6-8-12(9-7-11)16-14(18(19)20)10-13-4-3-5-15(21-2)17(13)22-16/h3-10,16H,1-2H3
InChI Key:
WCBYLOAJTVCSHZ-UHFFFAOYSA-N
SMILES:
COc1cccc2c1OC(c1ccc(cc1)C)C(=C2)[N+](=O)[O-]
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.31g/mol
Monoisotopic Mass:
297.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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