CAS 3086-62-2 | Benzamide, 3,4,5-trimethoxy- | CAS Number 3086-62-2

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3086-62-2 | Benzamide, 3,4,5-trimethoxy-

CAS No: 3086-62-2 Catalog No: AG0031IY MDL No:MFCD00017129

Product Description

Catalog Number:

AG0031IY

Chemical Name:

Benzamide, 3,4,5-trimethoxy-

CAS Number:

3086-62-2

Molecular Formula:

C10H13NO4

Molecular Weight:

211.2145

MDL Number:

MFCD00017129

IUPAC Name:

3,4,5-trimethoxybenzamide

InChI:

InChI=1S/C10H13NO4/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H2,11,12)

InChI Key:

GGNMTJKRHHLJHH-UHFFFAOYSA-N

SMILES:

COc1cc(cc(c1OC)OC)C(=O)N

EC Number:

221-406-6

UNII:

Y8L1O54TAS

NSC Number:

16947

Properties

Complexity:

208

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

211.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

211.217g/mol

Monoisotopic Mass:

211.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7

Literature

Title	Journal
Synthesis and evaluation of antitumoral activity of ester and amide derivatives of 2-arylamino-6-trifluoromethyl-3-pyridinecarboxylic acids.	Bioorganic & medicinal chemistry 20080301
The methodology for labeling the distal cerebrospinal fluid-contacting neurons in rats.	Journal of neuroscience methods 20080215
Fragmentation of trimethoprim and other compounds containing alkoxy-phenyl groups in electrospray ionisation tandem mass spectrometry.	European journal of mass spectrometry (Chichester, England) 20050101