CAS 1469-94-9 | 1,3-Propanedione, 1-(2-hydroxyphenyl)-3-phenyl- | CAS Number 1469-94-9

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1469-94-9 | 1,3-Propanedione, 1-(2-hydroxyphenyl)-3-phenyl-

CAS No: 1469-94-9 Catalog No: AG001EFD MDL No:

Product Description

Catalog Number:

AG001EFD

Chemical Name:

1,3-Propanedione, 1-(2-hydroxyphenyl)-3-phenyl-

CAS Number:

1469-94-9

Molecular Formula:

C15H12O3

Molecular Weight:

240.2540

IUPAC Name:

1-(2-hydroxyphenyl)-3-phenylpropane-1,3-dione

InChI:

InChI=1S/C15H12O3/c16-13-9-5-4-8-12(13)15(18)10-14(17)11-6-2-1-3-7-11/h1-9,16H,10H2

InChI Key:

OABFIJGAEVKMJP-UHFFFAOYSA-N

SMILES:

O=C(c1ccccc1)CC(=O)c1ccccc1O

Properties

Complexity:

305

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

240.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

240.258g/mol

Monoisotopic Mass:

240.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
2-(4-Phenyl-3H-1,5-benzodiazepin-2-yl)phenol.	Acta crystallographica. Section E, Structure reports online 20081201
Design of novel bioisosteres of beta-diketo acid inhibitors of HIV-1 integrase.	Antiviral chemistry & chemotherapy 20050101