Gentioflavin

CAT: 0926-TAA05850-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-TAA05850-03Size:50 mg

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CAS Number

18058-50-9

Smiles

CC1=CC (=C (C=C1C (=O) C) N) C

Molecular Formula

C10H11NO3

Molecular Weight

193.20 g/mol

Controlled

Chemical Information

1H-Pyrano(3,4-c)pyridine-5-carboxaldehyde, 3,4,6,7-tetrahydro-6-methyl-1-oxo-

Gentioflavine is a delta-lactone.

CAS Number	18058-50-9
PubChem CID	442536
IUPAC Name	6-methyl-1-oxo-3,4,6,7-tetrahydropyrano[3,4-c]pyridine-5-carbaldehyde
Molecular Formula	C10H11NO3
Molecular Weight	193.20
XLogP	-0.1
Topological Polar Surface Area	55.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	354

SMILES

CC1C(=C2CCOC(=O)C2=CN1)C=O

InChI

InChI=1S/C10H11NO3/c1-6-9(5-12)7-2-3-14-10(13)8(7)4-11-6/h4-6,11H,2-3H2,1H3

InChIKey

GLNRAZLQBMAROT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18058-50-9

CID: 442536

Formula: C10H11NO3

MW: 193.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.20
XLogP3	-0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	193.07389321
Monoisotopic Mass	193.07389321
Topological Polar Surface Area	55.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	354
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T125537-01	Gentioflavin