B I09

CAT: 0127-BUP11548-04Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP11548-04Size:25 mg

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

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CAS Number

1607803-67-7

Purity

=98%

Smiles

Oc1ccc2c3CCNCc3c(=O)oc2c1C1OCCCO1

Chemical Information

7-(1,3-Dioxan-2-yl)-1,2,3,4-tetrahydro-8-hydroxy-5H-[1]benzopyrano[3,4-c]pyridin-5-one

CAS Number	1607803-67-7
PubChem CID	86290458
IUPAC Name	7-(1,3-dioxan-2-yl)-8-hydroxy-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one
Molecular Formula	C16H17NO5
Molecular Weight	303.31
XLogP	0.3
Topological Polar Surface Area	77
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	22
Formal Charge	0
Complexity	485

SMILES

C1COC(OC1)C2=C(C=CC3=C2OC(=O)C4=C3CCNC4)O

InChI

InChI=1S/C16H17NO5/c18-12-3-2-10-9-4-5-17-8-11(9)15(19)22-14(10)13(12)16-20-6-1-7-21-16/h2-3,16-18H,1,4-8H2

InChIKey

UYYMWNUDIOPESF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1607803-67-7

CID: 86290458

Formula: C16H17NO5

MW: 303.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	303.31
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	303.11067264
Monoisotopic Mass	303.11067264
Topological Polar Surface Area	77 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	485
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

Catalog	Name
OR1025242-01	Polystyrene-B-Polybutadiene-B-Polystyrene
BUP16049-01	Erythrosin B
BUP15128-01	Amphotericin B
BUP14970-01	Erythrosine B
BUP08821-01	Tenuifoliside B
BUP07582-01	Soyasapogenol B
BUP02187-01	Arteannuin B
BUP01937-01	Dihydroarteannuin B
BUP01667-01	Liriopesides B
BUP01561-01	Aloenin B

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