Name: Name:9,10-Anthracenedione,1,8-dihydroxy-4,5-dinitro-
Brand: Angene
SKU: AG00528K
Rating: 90 (10 reviews)

9,10-Anthracenedione,1,8-dihydroxy-4,5-dinitro-

CAS No.:

81-55-0

Catalog Number:

AG00528K

Molecular Formula:

C14H6N2O8

Molecular Weight:

330.2060

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

>98.0%(HPLC)

1 week

United States

$102

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Product Description

Catalog Number:

AG00528K

Chemical Name:

9,10-Anthracenedione,1,8-dihydroxy-4,5-dinitro-

CAS Number:

81-55-0

Molecular Formula:

C14H6N2O8

Molecular Weight:

330.2060

MDL Number:

MFCD00019149

IUPAC Name:

1,8-dihydroxy-4,5-dinitroanthracene-9,10-dione

InChI:

InChI=1S/C14H6N2O8/c17-7-3-1-5(15(21)22)9-11(7)14(20)12-8(18)4-2-6(16(23)24)10(12)13(9)19/h1-4,17-18H

InChI Key:

GJCHQJDEYFYWER-UHFFFAOYSA-N

SMILES:

O=C1c2c(ccc(c2C(=O)c2c1c(ccc2O)[N+](=O)[O-])O)[N+](=O)[O-]

EC Number:

201-360-3

UNII:

HEO6302D6D

NSC Number:

81256

Properties

Complexity:

549

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

330.012g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

330.208g/mol

Monoisotopic Mass:

330.012g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

166A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Population-based in vitro hazard and concentration-response assessment of chemicals: the 1000 genomes high-throughput screening study.	Environmental health perspectives 20150501
1,8-dinitro-4,5-dihydroxyantraquinone--solid-state linear-polarized IR-spectroscopy of oriented colloid particles as a suspension in nematic liquid crystal.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081215

Properties