Pranoprofen Impurity 33

CAT: 1596-AR-P32355-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P32355-02Size:25 Units

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

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CAS Number

53944-40-4

Synonyms

7-acetyl-5H-chromeno[2,3-b]pyridin-5-one

Molecular Formula

C14H9NO3

Molecular Weight

239.23

API Name

Pranoprofen

Chemical Information

Y 9000

structure

CAS Number	53944-40-4
PubChem CID	198324
IUPAC Name	7-acetylchromeno[2,3-b]pyridin-5-one
Molecular Formula	C14H9NO3
Molecular Weight	239.23
XLogP	1.9
Topological Polar Surface Area	56.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	18
Formal Charge	0
Complexity	368

SMILES

CC(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=CC=N3

InChI

InChI=1S/C14H9NO3/c1-8(16)9-4-5-12-11(7-9)13(17)10-3-2-6-15-14(10)18-12/h2-7H,1H3

InChIKey

ZYGDCOJTJFQANG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53944-40-4

CID: 198324

Formula: C14H9NO3

MW: 239.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	239.23
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	239.058243149
Monoisotopic Mass	239.058243149
Topological Polar Surface Area	56.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	368
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