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Structure

12-Nitroindeno(1,2,3-cd)pyrene

CAS
95050-14-9
Catalog Number
ACM95050149
Category
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What is the molecular formula of 12-Nitroindeno(1,2,3-cd)pyrene?

Molecular Formula: C22H11NO2

When was the compound created and last modified according to PubChem?

Created: 2005-08-08
Modified: 2023-12-30

What is the IUPAC Name of 12-Nitroindeno(1,2,3-cd)pyrene?

IUPAC Name: 6-nitrohexacyclo[16.3.1.0 2,7 .0 8,21 .0 11,20 .0 14,19 ]docosa-1(22),2(7),3,5,8(21),9,11(20),12,14(19),15,17-undecaene

What is the InChIKey of 12-Nitroindeno(1,2,3-cd)pyrene?

InChIKey: UBYQOQMCSPXBEG-UHFFFAOYSA-N

What is the Canonical SMILES representation of 12-Nitroindeno(1,2,3-cd)pyrene?

Canonical SMILES: C1=CC2=C3C(=C1)C=C4C5=C(C6=C4C3=C(C=C2)C=C6)C(=CC=C5)[N+](=O)[O-]

What is the molecular weight of 12-Nitroindeno(1,2,3-cd)pyrene?

Molecular Weight: 321.3 g/mol

How many hydrogen bond donor counts does 12-Nitroindeno(1,2,3-cd)pyrene have?

Hydrogen Bond Donor Count: 0

What is the XLogP3-AA value of 12-Nitroindeno(1,2,3-cd)pyrene?

XLogP3-AA: 6.2

What is the topological polar surface area of 12-Nitroindeno(1,2,3-cd)pyrene?

Topological Polar Surface Area: 45.8 Ų

Is the compound considered canonicalized according to PubChem?

Compound Is Canonicalized: Yes

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