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Home > Nitro Compounds > 67905-61-7
67905-61-7 | 1,8-dihydroxy-2,4,5-trinitroanthraquinone
CAS No: 67905-61-7 Catalog No: AG00FOU5 MDL No:
Product Description
Catalog Number:
AG00FOU5
Chemical Name:
1,8-dihydroxy-2,4,5-trinitroanthraquinone
CAS Number:
67905-61-7
IUPAC Name:
1,8-dihydroxy-2,4,5-trinitroanthracene-9,10-dione
InChI:
InChI=1S/C14H5N3O10/c18-7-2-1-4(15(22)23)8-10(7)14(21)11-9(13(8)20)5(16(24)25)3-6(12(11)19)17(26)27/h1-3,18-19H
InChI Key:
ZBTXWMXJWUFKMS-UHFFFAOYSA-N
EC Number:
267-682-1
Properties
Complexity:
709
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.997g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
375.205g/mol
Monoisotopic Mass:
374.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
212A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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