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Pinostrobin

CAT: 0926-FP66572-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FP66572-02Size:50 mg
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CAS Number
75291-74-6
Synonyms
5-Hydroxy-7-methoxyflavanone; Pinocembrin-7-methyl ether;7-Methoxy-5-hydroxyflavanone; Pinocembrin-7-methyl ether
MDL Number
MFCD06858342
Smiles
COC1=CC (=C2C (=O) CC (OC2=C1) C3=CC=CC=C3) O
Molecular Formula
C16H14O4
Molecular Weight
270.28 g/mol
Controlled
No

Chemical Information

Npc235117

(S)-2,3-Dihydro-5-hydroxy-7-methoxy-2-phenyl-4-benzopyrone has been reported in Boesenbergia rotunda, Salvia officinalis, and other organisms with data available.

CAS Number75291-74-6
PubChem CID4101463
IUPAC Name5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one
Molecular FormulaC16H14O4
Molecular Weight270.28
XLogP3.1
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity350
SMILES
COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O
InChI
InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3
InChIKey
ORJDDOBAOGKRJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Npc235117
CAS: 75291-74-6
CID: 4101463
Formula: C16H14O4
MW: 270.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.28
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass270.08920892
Monoisotopic Mass270.08920892
Topological Polar Surface Area55.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity350
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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