Name: Name:11H-Benz[bc]aceanthrylene
Brand: Angene
SKU: AG002809
Rating: 90 (10 reviews)

11H-Benz[bc]aceanthrylene

CAS No.:

202-94-8

Catalog Number:

AG002809

Molecular Formula:

C19H12

Molecular Weight:

240.2986

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Product Description

Catalog Number:

AG002809

Chemical Name:

11H-Benz[bc]aceanthrylene

CAS Number:

202-94-8

Molecular Formula:

C19H12

Molecular Weight:

240.2986

MDL Number:

MFCD01666256

IUPAC Name:

pentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaene

InChI:

InChI=1S/C19H12/c1-2-7-16-13(4-1)10-15-9-8-12-5-3-6-14-11-17(16)19(15)18(12)14/h1-10H,11H2

InChI Key:

YZLKDBSYQYEZSG-UHFFFAOYSA-N

SMILES:

c1ccc2c(c1)cc1c3c2Cc2c3c(cc1)ccc2

Properties

Complexity:

359

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

240.094g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

240.305g/mol

Monoisotopic Mass:

240.094g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.7

Literature

Title	Journal
An in silico approach for evaluating a fraction-based, risk assessment method for total petroleum hydrocarbon mixtures.	Journal of toxicology 20120101
First examples of stable arenium ions from large methylene-bridged polycyclic aromatic hydrocarbons (PAHs). Directive effects and charge delocalization mode.	The Journal of organic chemistry 20010601