CAS 705-15-7 | 1-(2-Hydroxy-5-methoxyphenyl)ethanone | CAS Number 705-15-7

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Other Building Blocks > 705-15-7

705-15-7 | 1-(2-Hydroxy-5-methoxyphenyl)ethanone

CAS No: 705-15-7 Catalog No: AG0033CH MDL No:MFCD00008731

Product Description

Catalog Number:

AG0033CH

Chemical Name:

1-(2-Hydroxy-5-methoxyphenyl)ethanone

CAS Number:

705-15-7

Molecular Formula:

C9H10O3

Molecular Weight:

166.1739

MDL Number:

MFCD00008731

IUPAC Name:

1-(2-hydroxy-5-methoxyphenyl)ethanone

InChI:

InChI=1S/C9H10O3/c1-6(10)8-5-7(12-2)3-4-9(8)11/h3-5,11H,1-2H3

InChI Key:

MLIBGOFSXXWRIY-UHFFFAOYSA-N

SMILES:

COc1ccc(c(c1)C(=O)C)O

EC Number:

211-882-3

NSC Number:

338218

Properties

Complexity:

167

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

166.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

166.176g/mol

Monoisotopic Mass:

166.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Conformational behaviour, hydrogen bond competition and intramolecular dynamics in vanillin derivatives: acetovanillone and 6-hydroxy-3-methoxyacetophenone.	Physical chemistry chemical physics : PCCP 20110807
2-(4-Chloro-phen-yl)-6-meth-oxy-chroman-4-one.	Acta crystallographica. Section E, Structure reports online 20101001
1-(2-Hydr-oxy-5-methoxy-phen-yl)ethan-1-one N-[(E)-1-(2-hydr-oxy-5-methoxy-phen-yl)ethyl-idene]hydrazone.	Acta crystallographica. Section E, Structure reports online 20080101