CAS 2859-88-3 | 4H-1-Benzopyran-4-one, 7-hydroxy-2-methyl-3-phenyl- | CAS Number 2859-88-3

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2859-88-3 | 4H-1-Benzopyran-4-one, 7-hydroxy-2-methyl-3-phenyl-

CAS No: 2859-88-3 Catalog No: AG002VRM MDL No:MFCD00546333

Product Description

Catalog Number:

AG002VRM

Chemical Name:

4H-1-Benzopyran-4-one, 7-hydroxy-2-methyl-3-phenyl-

CAS Number:

2859-88-3

Molecular Formula:

C16H12O3

Molecular Weight:

252.2647

MDL Number:

MFCD00546333

IUPAC Name:

7-hydroxy-2-methyl-3-phenylchromen-4-one

InChI:

InChI=1S/C16H12O3/c1-10-15(11-5-3-2-4-6-11)16(18)13-8-7-12(17)9-14(13)19-10/h2-9,17H,1H3

InChI Key:

BBCDTCKKROIGAB-UHFFFAOYSA-N

SMILES:

Oc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C

NSC Number:

108340

Properties

Complexity:

393

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

252.269g/mol

Monoisotopic Mass:

252.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501