Callosin

CAT: 0926-RGA19743-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-RGA19743-02Size:25 mg

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

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CAS Number

166197-43-9

Smiles

COC1=CC (=CC2=C1C3=CC (=C (C=C3CC2) OC) O) O

Molecular Formula

C16H16O4

Molecular Weight

272.29 g/mol

Controlled

Yes

Chemical Information

Callosin

4,7-dimethoxy-9,10-dihydrophenanthrene-2,6-diol has been reported in Coelogyne flaccida and Agrostophyllum callosum with data available.

CAS Number	166197-43-9
PubChem CID	86182261
IUPAC Name	4,7-dimethoxy-9,10-dihydrophenanthrene-2,6-diol
Molecular Formula	C16H16O4
Molecular Weight	272.29
XLogP	3.1
Topological Polar Surface Area	58.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	334

SMILES

COC1=CC(=CC2=C1C3=CC(=C(C=C3CC2)OC)O)O

InChI

InChI=1S/C16H16O4/c1-19-14-6-9-3-4-10-5-11(17)7-15(20-2)16(10)12(9)8-13(14)18/h5-8,17-18H,3-4H2,1-2H3

InChIKey

RQIIPCKHAHBFOT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 166197-43-9

CID: 86182261

Formula: C16H16O4

MW: 272.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	272.29
XLogP3	3.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	272.10485899
Monoisotopic Mass	272.10485899
Topological Polar Surface Area	58.9 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	334
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
MBS5788244	Callosin