CAS 1006-59-3 | Phenol, 2,6-diethyl- | CAS Number 1006-59-3

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1006-59-3 | Phenol, 2,6-diethyl-

CAS No: 1006-59-3 Catalog No: AG0002FV MDL No:MFCD01707589

Product Description

Catalog Number:

AG0002FV

Chemical Name:

Phenol, 2,6-diethyl-

CAS Number:

1006-59-3

Molecular Formula:

C10H14O

Molecular Weight:

150.2176

MDL Number:

MFCD01707589

IUPAC Name:

2,6-diethylphenol

InChI:

InChI=1S/C10H14O/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7,11H,3-4H2,1-2H3

InChI Key:

METWAQRCMRWDAW-UHFFFAOYSA-N

SMILES:

CCc1cccc(c1O)CC

EC Number:

213-744-8

UNII:

FXC69FTD6U

Properties

Complexity:

99.4

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

150.104g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

150.221g/mol

Monoisotopic Mass:

150.104g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Recognition of anesthetic barbiturates by a protein binding site: a high resolution structural analysis.	PloS one 20120101
A unitary anesthetic binding site at high resolution.	The Journal of biological chemistry 20090904
4D-QSAR analysis of a set of propofol analogues: mapping binding sites for an anesthetic phenol on the GABA(A) receptor.	Journal of medicinal chemistry 20020718