Potasan

CAT: 1596-AR-P32246-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P32246-02Size:25 Units

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

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CAS Number

299-45-6

Molecular Formula

C14H17O5PS

Molecular Weight

328.32

API Name

Potasan

Chemical Information

O,O-Diethyl O-(4-methyl-2-oxo-2H-1-benzopyran-7-yl) phosphorothioate

CAS Number	299-45-6
PubChem CID	10496498
IUPAC Name	7-diethoxyphosphinothioyloxy-4-methylchromen-2-one
Molecular Formula	C14H17O5PS
Molecular Weight	328.32
XLogP	4.1
Topological Polar Surface Area	86.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	21
Formal Charge	0
Complexity	454

SMILES

CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=CC(=O)O2)C

InChI

InChI=1S/C14H17O5PS/c1-4-16-20(21,17-5-2)19-11-6-7-12-10(3)8-14(15)18-13(12)9-11/h6-9H,4-5H2,1-3H3

InChIKey

KNIUHBNRWZGIQQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 299-45-6

CID: 10496498

Formula: C14H17O5PS

MW: 328.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	328.32
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	328.05343181
Monoisotopic Mass	328.05343181
Topological Polar Surface Area	86.1 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	454
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