CAS 69471-05-2 | Benzaldehyde, 4-hydroxy-2,3-dimethoxy- | CAS Number 69471-05-2

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69471-05-2 | Benzaldehyde, 4-hydroxy-2,3-dimethoxy-

CAS No: 69471-05-2 Catalog No: AG005LU2 MDL No:

Product Description

Catalog Number:

AG005LU2

Chemical Name:

Benzaldehyde, 4-hydroxy-2,3-dimethoxy-

CAS Number:

69471-05-2

Molecular Formula:

C9H10O4

Molecular Weight:

182.1733

IUPAC Name:

4-hydroxy-2,3-dimethoxybenzaldehyde

InChI:

InChI=1S/C9H10O4/c1-12-8-6(5-10)3-4-7(11)9(8)13-2/h3-5,11H,1-2H3

InChI Key:

YMWYSWXWDNMUIX-UHFFFAOYSA-N

SMILES:

COc1c(C=O)ccc(c1OC)O

Properties

Complexity:

171

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

182.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

182.175g/mol

Monoisotopic Mass:

182.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4

Literature

Title	Journal
First total syntheses of (+/-)-isopiline, (+/-)-preocoteine, (+/-)-oureguattidine and (+/-)-3-methoxynordomesticine and the biological activities of (+/-)-3-methoxynordomesticine.	Chemical & pharmaceutical bulletin 20090401
Cinnamylphenols from Phyllodium pulchellum.	Journal of natural products 20050501