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Home Carboxys 4-Hydroxy-6-indolecarboxylic acid

4-Hydroxy-6-indolecarboxylic acid

CAS No.:
40990-52-1
Catalog Number:
AG00BY03
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
≥ 98% (HPLC)
1 week
United States
$167
- +
100mg
≥ 98% (HPLC)
1 week
United States
$288
- +
250mg
≥ 98% (HPLC)
1 week
United States
$538
- +
1g
≥ 98% (HPLC)
1 week
United States
$1354
- +
Product Description
Catalog Number:
AG00BY03
Chemical Name:
4-Hydroxy-6-indolecarboxylic acid
CAS Number:
40990-52-1
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD04973988
IUPAC Name:
4-hydroxy-1H-indole-6-carboxylic acid
InChI:
InChI=1S/C9H7NO3/c11-8-4-5(9(12)13)3-7-6(8)1-2-10-7/h1-4,10-11H,(H,12,13)
InChI Key:
TXZOAKBAZXCPGT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(O)c2c(c1)[nH]cc2
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
A reinvestigation of 4-hydroxyindole-6-carboxylate synthesis from pyrrole-2-carboxaldehyde: a facile synthesis of indoles and indolizines. The Journal of organic chemistry 20041001
Properties