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16578-60-2 | 1,3-Benzenedimethanol, 2-nitro-
CAS No: 16578-60-2 Catalog No: AG01CBR6 MDL No:
Product Description
Catalog Number:
AG01CBR6
Chemical Name:
1,3-Benzenedimethanol, 2-nitro-
CAS Number:
16578-60-2
IUPAC Name:
[3-(hydroxymethyl)-2-nitrophenyl]methanol
InChI:
InChI=1S/C8H9NO4/c10-4-6-2-1-3-7(5-11)8(6)9(12)13/h1-3,10-11H,4-5H2
InChI Key:
KZYWBYBQPIOWIY-UHFFFAOYSA-N
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.163g/mol
Monoisotopic Mass:
183.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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