CAS 487-69-4 | 2,4-Dihydroxy-6-methylbenzaldehyde | CAS Number 487-69-4

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487-69-4 | 2,4-Dihydroxy-6-methylbenzaldehyde

CAS No: 487-69-4 Catalog No: AG003FT3 MDL No:MFCD00033852

Product Description

Catalog Number:

AG003FT3

Chemical Name:

2,4-Dihydroxy-6-methylbenzaldehyde

CAS Number:

487-69-4

Molecular Formula:

C8H8O3

Molecular Weight:

152.1473

MDL Number:

MFCD00033852

IUPAC Name:

2,4-dihydroxy-6-methylbenzaldehyde

InChI:

InChI=1S/C8H8O3/c1-5-2-6(10)3-8(11)7(5)4-9/h2-4,10-11H,1H3

InChI Key:

LJFQTUKKYWDRAT-UHFFFAOYSA-N

SMILES:

O=Cc1c(C)cc(cc1O)O

UNII:

15U7JE2JVK

NSC Number:

72346

Properties

Complexity:

146

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

152.047g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

152.149g/mol

Monoisotopic Mass:

152.047g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Secondary metabolites from a marine-derived endophytic fungus Penicillium chrysogenum QEN-24S.	Marine drugs 20110101
o-Orsellinaldehyde from the submerged culture of the edible mushroom Grifola frondosa exhibits selective cytotoxic effect against Hep 3B cells through apoptosis.	Journal of agricultural and food chemistry 20061004
A short synthetic route to biologically active (+/-)-daurichromenic acid as highly potent anti-HIV agent.	Organic & biomolecular chemistry 20051107