200,000+ products from a single source!
sales@angenechem.com
827629-20-9 | 1H-Indole-2-carboxylic acid, 3a,6-dihydro-5-hydroxy-6-oxo-
CAS No: 827629-20-9 Catalog No: AG0056K6 MDL No:
Product Description
Catalog Number:
AG0056K6
Chemical Name:
1H-Indole-2-carboxylic acid, 3a,6-dihydro-5-hydroxy-6-oxo-
CAS Number:
827629-20-9
Molecular Formula:
C9H7NO4
Molecular Weight:
193.1562
IUPAC Name:
5-hydroxy-6-oxo-1,3a-dihydroindole-2-carboxylic acid
InChI:
InChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h1-4,10-11H,(H,13,14)
InChI Key:
QKQNIOOPGYPLEZ-UHFFFAOYSA-N
SMILES:
OC(=O)C1=CC2C(=CC(=O)C(=C2)O)N1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
193.158g/mol
Monoisotopic Mass:
193.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.