CAS 94-30-4 | Ethyl 4-methoxybenzoate | CAS Number 94-30-4

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94-30-4 | Ethyl 4-methoxybenzoate

CAS No: 94-30-4 Catalog No: AG003LN9 MDL No:MFCD00015151

Product Description

Catalog Number:

AG003LN9

Chemical Name:

Ethyl 4-methoxybenzoate

CAS Number:

94-30-4

Molecular Formula:

C10H12O3

Molecular Weight:

180.2005

MDL Number:

MFCD00015151

IUPAC Name:

ethyl 4-methoxybenzoate

InChI:

InChI=1S/C10H12O3/c1-3-13-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3

InChI Key:

FHUODBDRWMIBQP-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1ccc(cc1)OC

EC Number:

202-320-8

UNII:

KJ95H2S7NM

NSC Number:

4160

FEMA Number:

2420

Properties

Complexity:

160

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:

2.8

Literature

Title	Journal
Synthesis of methylated quercetin derivatives and their reversal activities on P-gp- and BCRP-mediated multidrug resistance tumour cells.	European journal of medicinal chemistry 20120801
4-Methoxy-benzohydrazide.	Acta crystallographica. Section E, Structure reports online 20090701