Cajanol

CAT: 0926-XC161666-02Size: 500 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-XC161666-02Size:500 mg

Selected

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

Quick Request Actions

CAS Number

61020-70-0

Synonyms

2,3-Dihydro-5-hydroxy-3- (4-hydroxy-2-methoxyphenyl) -7-methoxy-4H-1-benzopyran-4-one

Smiles

COC1=CC (=C2C (=C1) OCC (C2=O) C3=C (C=C (C=C3) O) OC) O

Molecular Formula

C17H16O6

Molecular Weight

316.31 g/mol

Controlled

Chemical Information

Cajanol

cajanol has been reported in Crotalaria lachnophora with data available.

CAS Number	61020-70-0
PubChem CID	442670
IUPAC Name	5-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
Molecular Formula	C17H16O6
Molecular Weight	316.30
XLogP	2.9
Topological Polar Surface Area	85.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	427

SMILES

COC1=CC(=C2C(=C1)OCC(C2=O)C3=C(C=C(C=C3)O)OC)O

InChI

InChI=1S/C17H16O6/c1-21-10-6-13(19)16-15(7-10)23-8-12(17(16)20)11-4-3-9(18)5-14(11)22-2/h3-7,12,18-19H,8H2,1-2H3

InChIKey

RYYWWFXWFMYKJM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 61020-70-0

CID: 442670

Formula: C17H16O6

MW: 316.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	316.30
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	316.09468823
Monoisotopic Mass	316.09468823
Topological Polar Surface Area	85.2 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	427
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
HBA88436-01	Cajanin