7-Azaindole N-oxide hemihydrate - CAS 1202864-61-6

Catalog:	BB004774
Product Name:	7-Azaindole N-oxide hemihydrate
CAS:	1202864-61-6
Synonyms:	7-hydroxypyrrolo[2,3-b]pyridine;hydrate

Technical Data

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Computed Properties

IUPAC Name:	7-hydroxypyrrolo[2,3-b]pyridine;hydrate
Description:	7-Azaindole N-oxide hemihydrate (CAS# 1202864-61-6 ) is a useful research chemical.
Molecular Weight:	143.14
Molecular Formula:	C7H6N2O · 0.5H2O
Canonical SMILES:	C1=CN(C2=NC=CC2=C1)O.C1=CN(C2=NC=CC2=C1)O.O
InChI:	InChI=1S/2C7H6N2O.H2O/c210-9-5-1-2-6-3-4-8-7(6)9;/h21-5,10H;1H2
InChI Key:	OHKTXWVCKFOLSU-UHFFFAOYSA-N
LogP:	2.48290

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501
Signal Word:	Danger

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	286.10659032
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	286.10659032
Rotatable Bond Count:	0
Topological Polar Surface Area:	77.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0