CAS 1193-63-1 | Cyclohexanecarboxaldehyde, 2-oxo- | CAS Number 1193-63-1

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1193-63-1 | Cyclohexanecarboxaldehyde, 2-oxo-

CAS No: 1193-63-1 Catalog No: AG000IK1 MDL No:MFCD16091105

Product Description

Catalog Number:

AG000IK1

Chemical Name:

Cyclohexanecarboxaldehyde, 2-oxo-

CAS Number:

1193-63-1

Molecular Formula:

C7H10O2

Molecular Weight:

126.1531

MDL Number:

MFCD16091105

IUPAC Name:

2-oxocyclohexane-1-carbaldehyde

InChI:

InChI=1S/C7H10O2/c8-5-6-3-1-2-4-7(6)9/h5-6H,1-4H2

InChI Key:

BPPPUFSZQDCMEE-UHFFFAOYSA-N

SMILES:

O=CC1CCCCC1=O

Properties

Complexity:

129

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

126.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

126.155g/mol

Monoisotopic Mass:

126.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

34.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7

Literature

Title	Journal
(12,17-Dieth-oxy-carbonyl-11,18-dimethyl-2,3:6,7-dibutano-corrphycenato)copper(II)-12,17-dieth-oxy-carbonyl-11,18-dimethyl-2:3,6:7-dibutano-corrphycene (3/97).	Acta crystallographica. Section E, Structure reports online 20120101
Chlorido(12,17-dieth-oxy-carbonyl-11,18-dimethyl-2:3,6:7-dibutano-corrphycenato-κN)iron(III).	Acta crystallographica. Section E, Structure reports online 20111201
Asymmetric synthesis of 3,4-dihydrocoumarin motif with an all-carbon quaternary stereocenter via a Michael-acetalization sequence with bifunctional amine-thiourea organocatalysts.	Organic letters 20111104