CAS 1732-13-4 | Pyrene, 1,2,3,6,7,8-hexahydro- | CAS Number 1732-13-4

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1732-13-4 | Pyrene, 1,2,3,6,7,8-hexahydro-

CAS No: 1732-13-4 Catalog No: AG001YPG MDL No:MFCD00010584

Product Description

Catalog Number:

AG001YPG

Chemical Name:

Pyrene, 1,2,3,6,7,8-hexahydro-

CAS Number:

1732-13-4

Molecular Formula:

C16H16

Molecular Weight:

208.2982

MDL Number:

MFCD00010584

IUPAC Name:

1,2,3,6,7,8-hexahydropyrene

InChI:

InChI=1S/C16H16/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h7-10H,1-6H2

InChI Key:

MBAIEZXRGAOPKH-UHFFFAOYSA-N

SMILES:

C1Cc2ccc3c4c2c(C1)ccc4CCC3

EC Number:

217-061-6

UNII:

X8B2RZG0YM

NSC Number:

60599

Properties

Complexity:

217

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

208.125g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

208.304g/mol

Monoisotopic Mass:

208.125g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.8

Literature

Title	Journal
Measuring the conformational properties of 1,2,3,6,7,8-hexahydropyrene and its van der Waals complexes.	The Journal of chemical physics 20100714
1-, 2-, and 4-ethynylpyrenes in the structure of twisted intercalating nucleic acids: structure, thermal stability, and fluorescence relationship.	Chemistry (Weinheim an der Bergstrasse, Germany) 20080101