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51257-24-0 | Benzoic acid, 3-(acetyloxy)-4-nitro-
CAS No: 51257-24-0 Catalog No: AG00I96K MDL No:
Product Description
Catalog Number:
AG00I96K
Chemical Name:
Benzoic acid, 3-(acetyloxy)-4-nitro-
CAS Number:
51257-24-0
IUPAC Name:
3-acetyloxy-4-nitrobenzoic acid
InChI:
InChI=1S/C9H7NO6/c1-5(11)16-8-4-6(9(12)13)2-3-7(8)10(14)15/h2-4H,1H3,(H,12,13)
InChI Key:
CXXFEUYSCNJQFE-UHFFFAOYSA-N
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.027g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.156g/mol
Monoisotopic Mass:
225.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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