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Home > Nitro Compounds > 1261945-79-2
1261945-79-2 | 4-(3,4-Methylenedioxyphenyl)-2-nitrophenol
CAS No: 1261945-79-2 Catalog No: AG00HNAG MDL No:
Product Description
Catalog Number:
AG00HNAG
Chemical Name:
4-(3,4-Methylenedioxyphenyl)-2-nitrophenol
CAS Number:
1261945-79-2
IUPAC Name:
4-(1,3-benzodioxol-5-yl)-2-nitrophenol
InChI:
InChI=1S/C13H9NO5/c15-11-3-1-8(5-10(11)14(16)17)9-2-4-12-13(6-9)19-7-18-12/h1-6,15H,7H2
InChI Key:
UDOKDWMGXNOVFI-UHFFFAOYSA-N
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.048g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.217g/mol
Monoisotopic Mass:
259.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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