Parvisoflavanone

CAT: 0926-ZBA77679-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-ZBA77679-02Size:25 mg

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CAS Number

49776-79-6

Smiles

COC1=C (C=CC (=C1OC) O) C2COC3=CC (=CC (=C3C2=O) O) O

Molecular Formula

C17H16O7

Molecular Weight

332.3 g/mol

Controlled

Chemical Information

Parvisoflavanone

Parvisoflavanone is an ether and a member of flavonoids.

CAS Number	49776-79-6
PubChem CID	44257394
IUPAC Name	5,7-dihydroxy-3-(4-hydroxy-2,3-dimethoxyphenyl)-2,3-dihydrochromen-4-one
Molecular Formula	C17H16O7
Molecular Weight	332.3
XLogP	2.5
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	456

SMILES

COC1=C(C=CC(=C1OC)O)C2COC3=CC(=CC(=C3C2=O)O)O

InChI

InChI=1S/C17H16O7/c1-22-16-9(3-4-11(19)17(16)23-2)10-7-24-13-6-8(18)5-12(20)14(13)15(10)21/h3-6,10,18-20H,7H2,1-2H3

InChIKey

KPBUWUOWFRHOIU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 49776-79-6

CID: 44257394

Formula: C17H16O7

MW: 332.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	332.3
XLogP3	2.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	332.08960285
Monoisotopic Mass	332.08960285
Topological Polar Surface Area	105 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	456
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
HY-N10085	Parvisoflavanone