CAS 3351-30-2 | 4-Methylchrysene | CAS Number 3351-30-2

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3351-30-2 | 4-Methylchrysene

CAS No: 3351-30-2 Catalog No: AG003LRP MDL No:

Product Description

Catalog Number:

AG003LRP

Chemical Name:

4-Methylchrysene

CAS Number:

3351-30-2

Molecular Formula:

C19H14

Molecular Weight:

242.3145

IUPAC Name:

4-methylchrysene

InChI:

InChI=1S/C19H14/c1-13-5-4-7-15-10-11-17-16-8-3-2-6-14(16)9-12-18(17)19(13)15/h2-12H,1H3

InChI Key:

BLVHWJCLSMYFMT-UHFFFAOYSA-N

SMILES:

Cc1cccc2c1c1ccc3c(c1cc2)cccc3

UNII:

TWU6H5YT57

Properties

Complexity:

320

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

242.11g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

242.321g/mol

Monoisotopic Mass:

242.11g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Singlet and doublet states UV-vis spectrum and electronic properties of 3-methylchrysene and 4-methylchrysene in glass matrix.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20080301
Synthesis and photoirradiation of isomeric ethylchrysenes by UVA light leading to lipid peroxidation.	International journal of environmental research and public health 20070201