Dihydroisoformononetin

CAT: 0926-FD65357Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-FD65357Size:5 mg

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CAS Number

1370372-04-5

Synonyms

4'-Hydroxy-7-methoxyisoflavanone

Smiles

O.COc1ccc2C (=O) C (COc2c1) c3ccc (O) cc3

Molecular Formula

C16H14O4·H2O

Molecular Weight

288.3 g/mol

Controlled

Chemical Information

Dihydroisoformononetin

CAS Number	1370372-04-5
PubChem CID	170902830
IUPAC Name	3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one;hydrate
Molecular Formula	C16H16O5
Molecular Weight	288.29
Topological Polar Surface Area	56.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	348

SMILES

COC1=CC2=C(C=C1)C(=O)C(CO2)C3=CC=C(C=C3)O.O

InChI

InChI=1S/C16H14O4.H2O/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10;/h2-8,14,17H,9H2,1H3;1H2

InChIKey

OMCGCWAWUYWIDI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1370372-04-5

CID: 170902830

Formula: C16H16O5

MW: 288.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	288.29
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	288.09977361
Monoisotopic Mass	288.09977361
Topological Polar Surface Area	56.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	348
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	2
Compound Is Canonicalized	Yes