CAS 61-70-1 | 1-Methyl-2-indolinone | CAS Number 61-70-1

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61-70-1 | 1-Methyl-2-indolinone

CAS No: 61-70-1 Catalog No: AG0032SU MDL No:MFCD00030253

Product Description

Catalog Number:

AG0032SU

Chemical Name:

1-Methyl-2-indolinone

CAS Number:

61-70-1

Molecular Formula:

C9H9NO

Molecular Weight:

147.1739

MDL Number:

MFCD00030253

IUPAC Name:

1-methyl-3H-indol-2-one

InChI:

InChI=1S/C9H9NO/c1-10-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3

InChI Key:

RSQUAQMIGSMNNE-UHFFFAOYSA-N

SMILES:

O=C1Cc2c(N1C)cccc2

UNII:

BKN6HNS2AW

NSC Number:

97219

Properties

Complexity:

178

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

147.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

147.177g/mol

Monoisotopic Mass:

147.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
5-Bromo-1-methyl-indolin-2-one.	Acta crystallographica. Section E, Structure reports online 20090701
Toward prediction of alkane/water partition coefficients.	Journal of medicinal chemistry 20080710
Rational determination of transfer free energies of small drugs across the water-oil interface.	Journal of medicinal chemistry 20020103