(4,7-Dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid

CAS

915919-65-2

Catalog Number

ACM915919652

Category

Other Products

Molecular Weight

219.236520 [g/mol]

Molecular Formula

C12H13NO3

MSDS COA Spec Sheet

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Specification

Synonyms

Ambcb4003761, CTK5G9873, MolPort-016-582-989, AKOS013153647, AG-H-75886, MCULE-4045356334, (4,7-DIMETHYL-2-OXO-2,3-DIHYDRO-1H-INDOL-3-YL)ACETIC ACID, 915919-65-2

IUPAC Name

2-(4,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetic acid

InChI Key

SOSVVLLFFNVGFR-UHFFFAOYSA-N

Boiling Point

437.4ºC at 760 mmHg

Flash Point

218.3ºC

Density

1.247g/cm³

Exact Mass

219.09000

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of (4,7-Dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid?

The molecular formula is C12H13NO3.

What is the PubChem CID of (4,7-Dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid?

The PubChem CID is 45791030.

What is the IUPAC name of (4,7-Dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid?

The IUPAC name is 2-(4,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetic acid.

What is the InChI of (4,7-Dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid?

The InChI is InChI=1S/C12H13NO3/c1-6-3-4-7(2)11-10(6)8(5-9(14)15)12(16)13-11/h3-4,8H,5H2,1-2H3,(H,13,16)(H,14,15).

What is the InChIKey of (4,7-Dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid?

The InChIKey is SOSVVLLFFNVGFR-UHFFFAOYSA-N.

What is the canonical SMILES of (4,7-Dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid?

The canonical SMILES is CC1=C2C(C(=O)NC2=C(C=C1)C)CC(=O)O.

What is the molecular weight of (4,7-Dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid?

The molecular weight is 219.24 g/mol.

How many hydrogen bond donors are there in (4,7-Dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid?

There are 2 hydrogen bond donors.

How many hydrogen bond acceptors are there in (4,7-Dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid?

There are 3 hydrogen bond acceptors.

How many rotatable bonds are there in (4,7-Dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid?

There are 2 rotatable bonds.