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1242840-80-7 | 5-(2-nitro-4,5-diMethylphenyl)-2-furaldehyde
CAS No: 1242840-80-7 Catalog No: AG00AA57 MDL No:
Product Description
Catalog Number:
AG00AA57
Chemical Name:
5-(2-nitro-4,5-diMethylphenyl)-2-furaldehyde
CAS Number:
1242840-80-7
IUPAC Name:
5-(4,5-dimethyl-2-nitrophenyl)furan-2-carbaldehyde
InChI:
InChI=1S/C13H11NO4/c1-8-5-11(12(14(16)17)6-9(8)2)13-4-3-10(7-15)18-13/h3-7H,1-2H3
InChI Key:
XYFBIXLIJOSHED-UHFFFAOYSA-N
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.234g/mol
Monoisotopic Mass:
245.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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