Name: Name:(4-CYANOPHENOXY) ACETIC ACID ETHYL ESTER
Brand: Angene
SKU: AG00BEYY
Rating: 90 (10 reviews)

(4-CYANOPHENOXY) ACETIC ACID ETHYL ESTER

CAS No.:

30041-95-3

Catalog Number:

AG00BEYY

Molecular Formula:

C11H11NO3

Molecular Weight:

205.2099

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Product Description

Catalog Number:

AG00BEYY

Chemical Name:

(4-CYANOPHENOXY) ACETIC ACID ETHYL ESTER

CAS Number:

30041-95-3

Molecular Formula:

C11H11NO3

Molecular Weight:

205.2099

MDL Number:

MFCD01672078

IUPAC Name:

ethyl 2-(4-cyanophenoxy)acetate

InChI:

InChI=1S/C11H11NO3/c1-2-14-11(13)8-15-10-5-3-9(7-12)4-6-10/h3-6H,2,8H2,1H3

InChI Key:

FZIFHLRZVOQASN-UHFFFAOYSA-N

SMILES:

CCOC(=O)COc1ccc(cc1)C#N

Properties

Complexity:

248

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

205.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

205.213g/mol

Monoisotopic Mass:

205.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties