Daidzein diacetate

CAT: 0926-FD20778-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-FD20778-01Size:100 mg

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CAS Number

3682-01-7

Synonyms

7- (Acetyloxy) -3-[4- (acetyloxy) phenyl]-4H-1-benzopyran-4-one;4',7-Dihydroxy-isoflavone diacetate;4',7-Diacetyl-O-isoflavone

Smiles

CC (=O) OC1=CC=C (C=C1) C2=COC3=C (C2=O) C=CC (=C3) OC (=O) C

Molecular Formula

C19H14O6

Molecular Weight

338.31 g/mol

Controlled

Chemical Information

Daidzein diacetate

CAS Number	3682-01-7
PubChem CID	10359753
IUPAC Name	[4-(7-acetyloxy-4-oxochromen-3-yl)phenyl] acetate
Molecular Formula	C19H14O6
Molecular Weight	338.3
XLogP	2.7
Topological Polar Surface Area	78.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	572

SMILES

CC(=O)OC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC(=O)C

InChI

InChI=1S/C19H14O6/c1-11(20)24-14-5-3-13(4-6-14)17-10-23-18-9-15(25-12(2)21)7-8-16(18)19(17)22/h3-10H,1-2H3

InChIKey

OHNNFNBOPWLDFH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3682-01-7

CID: 10359753

Formula: C19H14O6

MW: 338.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	338.3
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	338.07903816
Monoisotopic Mass	338.07903816
Topological Polar Surface Area	78.9 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	572
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
TRC-D103495-500MG	Daidzein Diacetate
N1862-500	Daidzein