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Home Carboxys Indoline-5-carboxylic acid

Indoline-5-carboxylic acid

CAS No.:
15861-30-0
Catalog Number:
AG001QCI
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$63
- +
1g
95%
In Stock USA
United States
$188
- +
5g
95%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG001QCI
Chemical Name:
Indoline-5-carboxylic acid
CAS Number:
15861-30-0
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD07371642
IUPAC Name:
2,3-dihydro-1H-indole-5-carboxylic acid
InChI:
InChI=1S/C9H9NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2,(H,11,12)
InChI Key:
DZTLKUKANGQSRN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)CCN2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties