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Home > Nitro Compounds > 27573-16-6
27573-16-6 | 9,10-Anthracenedione, 1,4-dihydroxy-5-nitro-
CAS No: 27573-16-6 Catalog No: AG002U3F MDL No:
Product Description
Catalog Number:
AG002U3F
Chemical Name:
9,10-Anthracenedione, 1,4-dihydroxy-5-nitro-
CAS Number:
27573-16-6
Molecular Formula:
C14H7NO6
Molecular Weight:
285.2085
IUPAC Name:
1,4-dihydroxy-5-nitroanthracene-9,10-dione
InChI:
InChI=1S/C14H7NO6/c16-8-4-5-9(17)12-11(8)13(18)6-2-1-3-7(15(20)21)10(6)14(12)19/h1-5,16-17H
InChI Key:
PYFMQENJTJWYPQ-UHFFFAOYSA-N
SMILES:
Oc1ccc(c2c1C(=O)c1c(C2=O)cccc1[N+](=O)[O-])O
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.027g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.211g/mol
Monoisotopic Mass:
285.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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