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Indoline-2-carboxylic Acid

CAT: 0572-TRC-I627205-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-I627205-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
78348-24-0
Synonyms
(±)-2,3-Dihydroindole-2-carboxylic Acid; (±)-Indoline-2-carboxylic Acid; 2,3-Dihydro-1H-indole-2-carboxylic Acid; 2,3-Dihydroindole-2-carboxylic Acid; Indoline-2-carboxylic Acid;
Hazard Statement
No Data Available
Smiles
OC(=O)C1Cc2ccccc2N1
Molecular Formula
C9H9NO2
Molecular Weight
163.17
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Indoline-2-carboxylic acid

Indoline-2-carboxylic acid is a member of indoles and a monocarboxylic acid.

CAS Number78348-24-0
PubChem CID86074
IUPAC Name2,3-dihydro-1H-indole-2-carboxylic acid
Molecular FormulaC9H9NO2
Molecular Weight163.17
XLogP1.6
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity193
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)
InChIKey
QNRXNRGSOJZINA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Indoline-2-carboxylic acid
CAS: 78348-24-0
CID: 86074
Formula: C9H9NO2
MW: 163.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.17
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass163.063328530
Monoisotopic Mass163.063328530
Topological Polar Surface Area49.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity193
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
FI164891-01Indoline-2-carboxylic acid
465121-01S- (-) -Indoline-2-carboxylic acid
OR316047-01(R) - (+) -Indoline-2-Carboxylic Acid
56971128R) - (+) -Indoline-2-carboxylic acid
19574131-5gDL-Indoline-2-carboxylic acid
27353427S) - (-) -Indoline-2-carboxylic acid
280952-01L-Indoline-2-carboxylic acid
sc-255553(S) - (-) -Indoline-2-carboxylic acid
OR0737-01(2S) - (-) -Indoline-2-carboxylic acid
sc-269251Indoline-3-carboxylic acid

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