Flindulatin

CAT: 0926-AAA52144-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-AAA52144-02Size:25 mg

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CAS Number

521-44-8

Smiles

COC1=CC=C (C=C1) C2=C (C (=O) C3=C (O2) C (=C (C=C3O) OC) OC) OC

Molecular Formula

C19H18O7

Molecular Weight

358.3 g/mol

Controlled

Chemical Information

Flindulatin

flindulatin has been reported in Nothofagus nervosa, Nothofagus alpina, and other organisms with data available.

CAS Number	521-44-8
PubChem CID	5466138
IUPAC Name	5-hydroxy-3,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
Molecular Formula	C19H18O7
Molecular Weight	358.3
XLogP	3.5
Topological Polar Surface Area	83.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	538

SMILES

COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC)OC)OC

InChI

InChI=1S/C19H18O7/c1-22-11-7-5-10(6-8-11)16-19(25-4)15(21)14-12(20)9-13(23-2)17(24-3)18(14)26-16/h5-9,20H,1-4H3

InChIKey

SQOMVBRIXCJFKW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 521-44-8

CID: 5466138

Formula: C19H18O7

MW: 358.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	358.3
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	358.10525291
Monoisotopic Mass	358.10525291
Topological Polar Surface Area	83.5 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	538
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
MBS5790222	Flindulatin