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

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H16
Molecular Weight	208.2982
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,2,3,6,7,8-HEXAHYDROPYRENE

Structure Search

SMILES

C1CC2=CC=C3CCCC4=C3C2=C(C1)C=C4

InChI

InChIKey=MBAIEZXRGAOPKH-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C16H16
Molecular Weight	208.2982
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

PubMed

Title	Date	PubMed
Measuring the conformational properties of 1,2,3,6,7,8-hexahydropyrene and its van der Waals complexes.	2010-07-14	20632750
1-, 2-, and 4-ethynylpyrenes in the structure of twisted intercalating nucleic acids: structure, thermal stability, and fluorescence relationship.	2008	18810743

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:53:00 GMT 2025` Edited by `admin` on `Mon Mar 31 18:53:00 GMT 2025`
Record UNII	X8B2RZG0YM
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

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

Systematic Name

English

NSC-60599

Preferred Name

English

PYRENE, 1,2,3,6,7,8-HEXAHYDRO-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID60169541

Created by admin on Mon Mar 31 18:53:00 GMT 2025 , Edited by admin on Mon Mar 31 18:53:00 GMT 2025

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MESH

C104230

Created by admin on Mon Mar 31 18:53:00 GMT 2025 , Edited by admin on Mon Mar 31 18:53:00 GMT 2025

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FDA UNII

X8B2RZG0YM

Created by admin on Mon Mar 31 18:53:00 GMT 2025 , Edited by admin on Mon Mar 31 18:53:00 GMT 2025

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PUBCHEM

74417

Created by admin on Mon Mar 31 18:53:00 GMT 2025 , Edited by admin on Mon Mar 31 18:53:00 GMT 2025

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ECHA (EC/EINECS)

217-061-6

Created by admin on Mon Mar 31 18:53:00 GMT 2025 , Edited by admin on Mon Mar 31 18:53:00 GMT 2025

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CAS

1732-13-4

Created by admin on Mon Mar 31 18:53:00 GMT 2025 , Edited by admin on Mon Mar 31 18:53:00 GMT 2025

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NSC

60599

Created by admin on Mon Mar 31 18:53:00 GMT 2025 , Edited by admin on Mon Mar 31 18:53:00 GMT 2025

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