CAS 1515-95-3 | Benzene, 1-ethyl-4-methoxy- | CAS Number 1515-95-3

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1515-95-3 | Benzene, 1-ethyl-4-methoxy-

CAS No: 1515-95-3 Catalog No: AG001NDE MDL No:MFCD00015176

Product Description

Catalog Number:

AG001NDE

Chemical Name:

Benzene, 1-ethyl-4-methoxy-

CAS Number:

1515-95-3

Molecular Formula:

C9H12O

Molecular Weight:

136.1910

MDL Number:

MFCD00015176

IUPAC Name:

1-ethyl-4-methoxybenzene

InChI:

InChI=1S/C9H12O/c1-3-8-4-6-9(10-2)7-5-8/h4-7H,3H2,1-2H3

InChI Key:

HDNRAPAFJLXKBV-UHFFFAOYSA-N

SMILES:

CCc1ccc(cc1)OC

EC Number:

604-805-3

UNII:

I71P5QG20S

NSC Number:

5294

Properties

Complexity:

82.7

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

136.089g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

136.194g/mol

Monoisotopic Mass:

136.089g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

9.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
Asymmetric synthesis of polyhydroxylated pyrrolizidines via transannular iodoamination with concomitant N-debenzylation.	Organic letters 20110401
Fragmentation study on the phenolic alkaloid neferine and its analogues with anti-HIV activities by electrospray ionization tandem mass spectrometry with hydrogen/deuterium exchange and its application for rapid identification of in vitro microsomal metabolites of neferine.	Rapid communications in mass spectrometry : RCM 20070101
Novel benzopyridothiadiazepines as potential active antitumor agents.	Journal of medicinal chemistry 20051117
Guest-induced assembly of tetracarboxyl-cavitand and tetra(3-pyridyl)-cavitand into a heterodimeric capsule via hydrogen bonds and CH-halogen and/or CH-pi interaction: control of the orientation of the encapsulated guest.	Journal of the American Chemical Society 20030903