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Structure

2-(6-Methoxyindolin-3-yl)acetic acid

CAS
944899-25-6
Catalog Number
ACM944899256
Category
Other Products
Molecular Weight
207.225820 [g/mol]
Molecular Formula
C11H13NO3

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Specification

Synonyms
2-(6-METHOXYINDOLIN-3-YL)ACETIC ACID, 944899-25-6, CTK5H6707, AKOS015966375, AG-H-90182, KB-223526
IUPAC Name
2-(6-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid
Canonical SMILES
COC1=CC2=C(C=C1)C(CN2)CC(=O)O
InChI Key
IEDZUUGUFWYMHU-UHFFFAOYSA-N
Boiling Point
395ºC at 760 mmHg
Flash Point
192.7ºC
Density
1.213g/cm³
Exact Mass
207.09000
H-Bond Acceptor
4
H-Bond Donor
2
What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-(6-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid.

What is the molecular formula of the compound?

The molecular formula of the compound is C11H13NO3.

What is the molecular weight of the compound?

The molecular weight of the compound is 207.23 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C11H13NO3/c1-15-8-2-3-9-7(4-11(13)14)6-12-10(9)5-8/h2-3,5,7,12H,4,6H2,1H3,(H,13,14).

What is the InChIKey of the compound?

The InChIKey of the compound is IEDZUUGUFWYMHU-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is COC1=CC2=C(C=C1)C(CN2)CC(=O)O.

What is the CAS number of the compound?

The CAS number of the compound is 944899-25-6.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 1.2.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

How many rotatable bond counts does the compound have?

The compound has 3 rotatable bond counts.

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