Name: Name:3-(4-ACETYLPHENOXY)PROPANOIC ACID
Brand: Angene
SKU: AG019KJY
Rating: 90 (10 reviews)

3-(4-ACETYLPHENOXY)PROPANOIC ACID

CAS No.:

91143-72-5

Catalog Number:

AG019KJY

Molecular Formula:

C11H12O4

Molecular Weight:

208.2106

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Product Description

Catalog Number:

AG019KJY

Chemical Name:

3-(4-ACETYLPHENOXY)PROPANOIC ACID

CAS Number:

91143-72-5

Molecular Formula:

C11H12O4

Molecular Weight:

208.2106

MDL Number:

MFCD03701413

IUPAC Name:

3-(4-acetylphenoxy)propanoic acid

InChI:

InChI=1S/C11H12O4/c1-8(12)9-2-4-10(5-3-9)15-7-6-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)

InChI Key:

JQVGZRZJTCMBDQ-UHFFFAOYSA-N

SMILES:

OC(=O)CCOc1ccc(cc1)C(=O)C

Properties

Complexity:

229

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

208.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

208.213g/mol

Monoisotopic Mass:

208.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening.	Journal of medicinal chemistry 20040506