4-o-Methylfisetin-d3

CAT: 0926-HCA39672-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-HCA39672-01Size:10 mg

Selected

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

Quick Request Actions

CAS Number

57396-72-2

Smiles

COC1=C (C=C (C=C1) C2=C (C (=O) C3=C (O2) C=C (C=C3) O) O) O

Molecular Formula

C16H12O6

Molecular Weight

300.26 g/mol

Controlled

Chemical Information

3,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one

3,3',7-Trihydroxy-4'-methoxyflavone is a hydroxyflavan.

CAS Number	57396-72-2
PubChem CID	5378244
IUPAC Name	3,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
Molecular Formula	C16H12O6
Molecular Weight	300.26
XLogP	2.3
Topological Polar Surface Area	96.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	473

SMILES

COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O

InChI

InChI=1S/C16H12O6/c1-21-12-5-2-8(6-11(12)18)16-15(20)14(19)10-4-3-9(17)7-13(10)22-16/h2-7,17-18,20H,1H3

InChIKey

QVYSSMFEUBQBEU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 57396-72-2

CID: 5378244

Formula: C16H12O6

MW: 300.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	300.26
XLogP3	2.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	300.06338810
Monoisotopic Mass	300.06338810
Topological Polar Surface Area	96.2 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	473
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
LYA95409-01	3-o-Methyldopa d3
EBC03109-01	Galanthamine-o-methyl-d3
FD174818-01	Diosmetin-d3-3'-O-glucuronide
EAA89676	Glycine-N, N, o-d3
LAC08382-01	Oxycodone-o-methyl-d3 hydrochloride
PXB67999-01	5-o-Desmethyl omeprazole-d3
TAA16181-01	Thebaine 6-o-methyl-d3
MDA64956-01	Vitamin d3 o-t-butyldimethylsilyl ether
LDA40194-01	17-o- (Acetyl-d3) -6-methylprednisolone
MD09505-01	Dextrorphan O-b-D-glucuronide D3

Catalog	Name
433300-01	4-O-Methylfisetin-d3
426538-01	3-O-Methylfisetin-d3
433299-01	4-O-Methylfisetin
TRC-M295940-10MG	3-O-Methylfisetin
HY-Z0792S-01	4-O-Methyldopa-d3
TRC-M293202-50MG	4-O-Methyl-d3-carbidopa
sc-483305	4'-O-Methyl-d3 Quercetin
427108-01	3,4-Dihydroxymethamphetamine-d3-4-O-sulfate
161669	4'',6-Di-O-methylerythromycin-d3
TRC-M308302-2.5G	4-O-Methyl-D-glucose-d3