CAS 23942-00-9 | 5-hydroxy-2-Methylbenzaldehyde | CAS Number 23942-00-9

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23942-00-9 | 5-hydroxy-2-Methylbenzaldehyde

CAS No: 23942-00-9 Catalog No: AG00BILS MDL No:MFCD16997527

Product Description

Catalog Number:

AG00BILS

Chemical Name:

5-hydroxy-2-Methylbenzaldehyde

CAS Number:

23942-00-9

Molecular Formula:

C8H8O2

Molecular Weight:

136.1479

MDL Number:

MFCD16997527

IUPAC Name:

5-hydroxy-2-methylbenzaldehyde

InChI:

InChI=1S/C8H8O2/c1-6-2-3-8(10)4-7(6)5-9/h2-5,10H,1H3

InChI Key:

QONBQACIGSEEDX-UHFFFAOYSA-N

SMILES:

O=Cc1cc(O)ccc1C

Properties

Complexity:

122

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

136.052g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

136.15g/mol

Monoisotopic Mass:

136.052g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Determination of optimal phenanthrene, sulfate and biomass concentrations for anaerobic biodegradation of phenanthrene by sulfate-reducing bacteria and elucidation of metabolic pathway.	Journal of hazardous materials 20091115
(E)-4-(5-Hydr-oxy-2-methyl-benzyl-idene-amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one.	Acta crystallographica. Section E, Structure reports online 20081001