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Indoline-3-carboxylic acid

CAS No.:
39891-70-8
Catalog Number:
AG0076RY
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$100
- +
1g
95%
In Stock USA
United States
$163
- +
5g
95%
In Stock USA
United States
$494
- +
Product Description
Catalog Number:
AG0076RY
Chemical Name:
Indoline-3-carboxylic acid
CAS Number:
39891-70-8
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD03840629
IUPAC Name:
2,3-dihydro-1H-indole-3-carboxylic acid
InChI:
InChI=1S/C9H9NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-4,7,10H,5H2,(H,11,12)
InChI Key:
RXHBTEVUVWXEBO-UHFFFAOYSA-N
SMILES:
OC(=O)C1CNc2c1cccc2
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Indoline-3-carboxylic acid derived organocatalysts for the anti-Mannich reaction. Chemistry (Weinheim an der Bergstrasse, Germany) 20101227
Properties