CAS 5779-95-3 | 3,5-Dimethylbenzaldehyde | CAS Number 5779-95-3

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5779-95-3 | 3,5-Dimethylbenzaldehyde

CAS No: 5779-95-3 Catalog No: AG0033JK MDL No:MFCD00082777

Product Description

Catalog Number:

AG0033JK

Chemical Name:

3,5-Dimethylbenzaldehyde

CAS Number:

5779-95-3

Molecular Formula:

C9H10O

Molecular Weight:

134.1751

MDL Number:

MFCD00082777

IUPAC Name:

3,5-dimethylbenzaldehyde

InChI:

InChI=1S/C9H10O/c1-7-3-8(2)5-9(4-7)6-10/h3-6H,1-2H3

InChI Key:

NBEFMISJJNGCIZ-UHFFFAOYSA-N

SMILES:

O=Cc1cc(C)cc(c1)C

Properties

Complexity:

110

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

134.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

134.178g/mol

Monoisotopic Mass:

134.073g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
(3,5-Dimethyl-phen-yl)[8-(3,5-dimethyl-benzo-yl)-2,7-dimeth-oxy-naphthalen-1-yl]methanone.	Acta crystallographica. Section E, Structure reports online 20120401
Direct spectrophotometric assay for benzaldehyde lyase activity.	Biotechnology research international 20110101