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Home > Nitro Compounds > 97509-29-0
97509-29-0 | 1,2-DIHYDROXY-9-NITRO-1,2-DIHYDROANTHRACENE
CAS No: 97509-29-0 Catalog No: AG00H8X6 MDL No:
Product Description
Catalog Number:
AG00H8X6
Chemical Name:
1,2-DIHYDROXY-9-NITRO-1,2-DIHYDROANTHRACENE
CAS Number:
97509-29-0
Molecular Formula:
C14H11NO4
Molecular Weight:
257.2414
IUPAC Name:
(1R,2R)-9-nitro-1,2-dihydroanthracene-1,2-diol
InChI:
InChI=1S/C14H11NO4/c16-11-6-5-9-7-8-3-1-2-4-10(8)13(15(18)19)12(9)14(11)17/h1-7,11,14,16-17H/t11-,14+/m1/s1
InChI Key:
QSXWJHDDFBXFHY-RISCZKNCSA-N
SMILES:
OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)cccc1
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
257.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.245g/mol
Monoisotopic Mass:
257.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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