CAS 24673-56-1 | 2-Benzofurancarboxylic acid, 3-methyl- | CAS Number 24673-56-1

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24673-56-1 | 2-Benzofurancarboxylic acid, 3-methyl-

CAS No: 24673-56-1 Catalog No: AG002P0L MDL No:MFCD00060511

Product Description

Catalog Number:

AG002P0L

Chemical Name:

2-Benzofurancarboxylic acid, 3-methyl-

CAS Number:

24673-56-1

Molecular Formula:

C10H8O3

Molecular Weight:

176.1687

MDL Number:

MFCD00060511

IUPAC Name:

3-methyl-1-benzofuran-2-carboxylic acid

InChI:

InChI=1S/C10H8O3/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-5H,1H3,(H,11,12)

InChI Key:

YMZTUCZCQMQFMK-UHFFFAOYSA-N

SMILES:

OC(=O)c1oc2c(c1C)cccc2

Properties

Complexity:

214

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

176.047g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

176.171g/mol

Monoisotopic Mass:

176.047g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

50.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Stereoselective synthesis and antimicrobial activity of benzofuran-based (1E)-1-(piperidin-1-yl)-N2-arylamidrazones.	European journal of medicinal chemistry 20091201
Structure-activity relationship study on alpha1 adrenergic receptor antagonists from beer.	Bioorganic & medicinal chemistry letters 20091015