Structure

(R)-(+)-Indoline-2-carboxylic Acid

CAS
98167-06-7
Catalog Number
ACM98167067
Category
Other Products
Molecular Weight
163.176g/mol
Molecular Formula
C9H9NO2;

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Specification

Synonyms
CTK3I6605; QNRXNRGSOJZINA-MRVPVSSYSA-; (R)-(+)-Indoline-2-carboxylic acid; (R)-(+)-2,3-Dihydroindole-2-carboxylic acid; (R)-Indoline-2-carboxylic Acid; InChI=1/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)/t8-/m1/s1; RTR-030294; AC1OBW7O; AX8007780; FCH1121449;
IUPAC Name
(2R)-2,3-dihydro-1H-indole-2-carboxylic acid;
SMILES
C1C(NC2=CC=CC=C21)C(=O)O;
InChI
InChI=1S/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)/t8-/m1/s1;
InChI Key
QNRXNRGSOJZINA-MRVPVSSYSA-N;
Storage
Store at 0-5°C
Complexity
193
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
1
Exact Mass
163.063g/mol
H-Bond Acceptor
3
H-Bond Donor
2
Heavy Atom Count
12
Monoisotopic Mass
163.063g/mol
Rotatable Bond Count
1
Topological Polar Surface Area
49.3A^2
What is the molecular formula of (R)-(+)-Indoline-2-carboxylic Acid?

The molecular formula is C9H9NO2.

What is the molecular weight of (R)-(+)-Indoline-2-carboxylic Acid?

The molecular weight is 163.17 g/mol.

What is the IUPAC name of (R)-(+)-Indoline-2-carboxylic Acid?

The IUPAC name is (2R)-2,3-dihydro-1H-indole-2-carboxylic acid.

What is the InChI of (R)-(+)-Indoline-2-carboxylic Acid?

The InChI is InChI=1S/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)/t8-/m1/s1.

What is the InChIKey of (R)-(+)-Indoline-2-carboxylic Acid?

The InChIKey is QNRXNRGSOJZINA-MRVPVSSYSA-N.

What is the canonical SMILES of (R)-(+)-Indoline-2-carboxylic Acid?

The canonical SMILES is C1C(NC2=CC=CC=C21)C(=O)O.

How many hydrogen bond donor count does (R)-(+)-Indoline-2-carboxylic Acid have?

It has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor count does (R)-(+)-Indoline-2-carboxylic Acid have?

It has 3 hydrogen bond acceptor counts.

How many rotatable bond count does (R)-(+)-Indoline-2-carboxylic Acid have?

It has 1 rotatable bond count.

What is the topological polar surface area of (R)-(+)-Indoline-2-carboxylic Acid?

The topological polar surface area is 49.3 ?2.

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