Evodosin A

CAT: 0926-RBC05338-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-RBC05338-02Size:10 mg

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

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CAS Number

1291053-38-7

MDL Number

MFCD28100633

Smiles

CC (C) (C (C (C1=CC2=C (C=C (C=C2) O) OC1=O) O) O) O

Molecular Formula

C14H16O6

Molecular Weight

280.27 g/mol

Controlled

Chemical Information

Evodosin A

CAS Number	1291053-38-7
PubChem CID	129317357
IUPAC Name	7-hydroxy-3-(1,2,3-trihydroxy-3-methylbutyl)chromen-2-one
Molecular Formula	C14H16O6
Molecular Weight	280.27
XLogP	0.6
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	416

SMILES

CC(C)(C(C(C1=CC2=C(C=C(C=C2)O)OC1=O)O)O)O

InChI

InChI=1S/C14H16O6/c1-14(2,19)12(17)11(16)9-5-7-3-4-8(15)6-10(7)20-13(9)18/h3-6,11-12,15-17,19H,1-2H3

InChIKey

UWTSEUOPXSZNNG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1291053-38-7

CID: 129317357

Formula: C14H16O6

MW: 280.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	280.27
XLogP3	0.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	280.09468823
Monoisotopic Mass	280.09468823
Topological Polar Surface Area	107 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	416
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
NGA63405-01	Evofolin C
TGA25496-01	Evofolin B

Catalog	Name
TN4044	Evodosin A