Name: Name:3-Furancarboxylic acid, 2,4,5-trimethyl-
Brand: Angene
SKU: AG002WAO
Rating: 90 (10 reviews)

3-Furancarboxylic acid, 2,4,5-trimethyl-

CAS No.:

28730-32-7

Catalog Number:

AG002WAO

Molecular Formula:

C8H10O3

Molecular Weight:

154.1632

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Product Description

Catalog Number:

AG002WAO

Chemical Name:

3-Furancarboxylic acid, 2,4,5-trimethyl-

CAS Number:

28730-32-7

Molecular Formula:

C8H10O3

Molecular Weight:

154.1632

MDL Number:

MFCD07687287

IUPAC Name:

2,4,5-trimethylfuran-3-carboxylic acid

InChI:

InChI=1S/C8H10O3/c1-4-5(2)11-6(3)7(4)8(9)10/h1-3H3,(H,9,10)

InChI Key:

BAZBYDHOWMSZBD-UHFFFAOYSA-N

SMILES:

OC(=O)c1c(C)oc(c1C)C

Properties

Complexity:

167

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

154.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

154.165g/mol

Monoisotopic Mass:

154.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

50.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

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