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Home > Nitro Compounds > 88503-28-0
88503-28-0 | 3(2H)-Benzofuranone, 4,6-dimethoxy-7-nitro-2-(phenylmethylene)-
CAS No: 88503-28-0 Catalog No: AG0048A0 MDL No:
Product Description
Catalog Number:
AG0048A0
Chemical Name:
3(2H)-Benzofuranone, 4,6-dimethoxy-7-nitro-2-(phenylmethylene)-
CAS Number:
88503-28-0
Molecular Formula:
C17H13NO6
Molecular Weight:
327.2882
IUPAC Name:
2-benzylidene-4,6-dimethoxy-7-nitro-1-benzofuran-3-one
InChI:
InChI=1S/C17H13NO6/c1-22-11-9-12(23-2)15(18(20)21)17-14(11)16(19)13(24-17)8-10-6-4-3-5-7-10/h3-9H,1-2H3
InChI Key:
NIPHSFVJMHIAJA-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(c2c1C(=O)C(=Cc1ccccc1)O2)[N+](=O)[O-]
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.074g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.292g/mol
Monoisotopic Mass:
327.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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