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3-phenyl-1,2,4-oxadiazole-5-carbaldehyde dihydrate

3-phenyl-1,2,4-oxadiazole-5-carbaldehyde dihydrate

CAS: 1559062-07-5

Formula: C9H10N2O4

SMILES: O.O.O=CC1=NC(=NO1)C1=CC=CC=C1

IUPAC: 3-phenyl-1,2,4-oxadiazole-5-carbaldehyde dihydrate

InChI: InChI=1S/C9H6N2O2.2H2O/c12-6-8-10-9(11-13-8)7-4-2-1-3-5-7;;/h1-6H;2*1H2

Composition: C (51.43%), H (4.80%), N (13.33%), O (30.45%)

Molar Mass: 210.189

Atom Count: 25

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 210.06405681
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey PVROCFZDFSQXHC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.13
Topological Polar Surface Area 55.99
Polarizability 17.63
Ring Count 2
Rotatable Bond Count 2

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95% <4 Days 1559062-07-5 $379.50-$1,518.00$379.50$1,518.00
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