O-Desmethyl Angolensin

CAT: 1596-AR-C03505-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C03505-01Size:10 Units

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CAS Number

21255-69-6

Synonyms

1- (2,4-dihydroxyphenyl) -2- (4-hydroxyphenyl) propan-1-one; O-Desmethylangolensin

Molecular Formula

C15H14O4

Molecular Weight

258.27

API Name

Conjugated Estrogen

Chemical Information

O-Desmethylangolensin

O-Desmethylangolensin is a stilbenoid.

CAS Number	21255-69-6
PubChem CID	89472
IUPAC Name	1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propan-1-one
Molecular Formula	C15H14O4
Molecular Weight	258.27
XLogP	3.3
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	309

SMILES

CC(C1=CC=C(C=C1)O)C(=O)C2=C(C=C(C=C2)O)O

InChI

InChI=1S/C15H14O4/c1-9(10-2-4-11(16)5-3-10)15(19)13-7-6-12(17)8-14(13)18/h2-9,16-18H,1H3

InChIKey

JDJPNKPFDDUBFV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21255-69-6

CID: 89472

Formula: C15H14O4

MW: 258.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	258.27
XLogP3	3.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	258.08920892
Monoisotopic Mass	258.08920892
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	309
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
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