CYCLOBUTADIENE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C4H4
Molecular Weight	52.0746
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CYCLOBUTADIENE

SMILES

C1=CC=C1

InChI

InChIKey=HWEQKSVYKBUIIK-UHFFFAOYSA-N

InChI=1S/C4H4/c1-2-4-3-1/h1-4H

HIDE SMILES / InChI

Molecular Formula	C4H4
Molecular Weight	52.0746
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

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

Approval Year

PubMed

PubMed

Show entries

Title	Date	PubMed
Organometallic dehydro[14] annulenes containing Vollhardt's cyclobutadiene: are CpCo-complexed cyclobutadienes more aromatic then benzene?	2001 Jul 27	11463271
Observation of the predicted negative Faraday A MCD term in a cyclobutadiene dianion.	2001 Jun 6	11457402
Synthetic and theoretical studies of cyclobuta[1,2:3,4]dicyclopentene. Organocobalt intermediates in the construction of the unsaturated carbon skeleton and their transformation into novel cobaltacyclic complexes by C-C insertion.	2004 Apr 2	15049653
Equation-of-motion spin-flip coupled-cluster model with single and double substitutions: Theory and application to cyclobutadiene.	2004 Jan 1	15267275
Multiconfiguration optimized effective potential method for a density-functional treatment of static correlation.	2008 Apr 14	18412425

Showing 1 to 5 of 10 entries

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Substance Class	Chemical
Record UNII	I5G5583N4F
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

CYCLOBUTADIENE

Systematic Name

English

CYCLOBUTADIENE [MI]

Common Name

English

1,3-CYCLOBUTADIENE

Systematic Name

English

ANNULENE

Common Name

English

Showing 1 to 4 of 4 entries

Show entries

Code System

Code

Type

Description

CAS

1120-53-2

PRIMARY

FDA UNII

I5G5583N4F

PRIMARY

CHEBI

33657

PRIMARY

MERCK INDEX

m3977

PRIMARY

Merck Index

EPA CompTox

DTXSID00149807

PRIMARY

Showing 1 to 5 of 8 entries

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