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Home > Indoles and Oxindole > 77311-46-7
77311-46-7 | 7a-hydroxy-2-oxo-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile
CAS No: 77311-46-7 Catalog No: AG0054Q1 MDL No:
Product Description
Catalog Number:
AG0054Q1
Chemical Name:
7a-hydroxy-2-oxo-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile
CAS Number:
77311-46-7
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
IUPAC Name:
7a-hydroxy-2-oxo-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile
InChI:
InChI=1S/C9H10N2O2/c10-5-6-7-3-1-2-4-9(7,13)11-8(6)12/h13H,1-4H2,(H,11,12)
InChI Key:
BRXPUVKBOVEUEM-UHFFFAOYSA-N
SMILES:
N#CC1=C2CCCCC2(NC1=O)O
NSC Number:
341902
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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