Pyrozoxon

CAT: 1596-AR-P33485-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P33485-01Size:10 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

108-34-9

Molecular Formula

C8H15N2O4P

Molecular Weight

234.19

API Name

Pyrozoxon

Chemical Information

Pyrazoxone

CAS Number	108-34-9
PubChem CID	7925
IUPAC Name	diethyl (5-methyl-1H-pyrazol-3-yl) phosphate
Molecular Formula	C8H15N2O4P
Molecular Weight	234.19
XLogP	1.1
Topological Polar Surface Area	73.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	15
Formal Charge	0
Complexity	229

SMILES

CCOP(=O)(OCC)OC1=NNC(=C1)C

InChI

InChI=1S/C8H15N2O4P/c1-4-12-15(11,13-5-2)14-8-6-7(3)9-10-8/h6H,4-5H2,1-3H3,(H,9,10)

InChIKey

CDCTYRNLXFEDHC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 108-34-9

CID: 7925

Formula: C8H15N2O4P

MW: 234.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.19
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	234.07694396
Monoisotopic Mass	234.07694396
Topological Polar Surface Area	73.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	229
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes