CAS 5703-21-9 | 3,4-Dimethoxybenzeneacetaldehyde | CAS Number 5703-21-9

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5703-21-9 | 3,4-Dimethoxybenzeneacetaldehyde

CAS No: 5703-21-9 Catalog No: AG0037LM MDL No:MFCD02261749

Product Description

Catalog Number:

AG0037LM

Chemical Name:

3,4-Dimethoxybenzeneacetaldehyde

CAS Number:

5703-21-9

Molecular Formula:

C10H12O3

Molecular Weight:

180.2005

MDL Number:

MFCD02261749

IUPAC Name:

2-(3,4-dimethoxyphenyl)acetaldehyde

InChI:

InChI=1S/C10H12O3/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,6-7H,5H2,1-2H3

InChI Key:

RIVVYJWUHXMGSK-UHFFFAOYSA-N

SMILES:

O=CCc1ccc(c(c1)OC)OC

EC Number:

227-189-4

UNII:

CS521IRB51

Properties

Complexity:

158

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.203g/mol

Monoisotopic Mass:

180.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9

Literature

Title	Journal
Contribution of aldehyde oxidizing enzymes on the metabolism of 3,4-dimethoxy-2-phenylethylamine to 3,4-dimethoxyphenylacetic acid by guinea pig liver slices.	Cellular physiology and biochemistry : international journal of experimental cellular physiology, biochemistry, and pharmacology 20060101