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Geraldol

CAT: 0013-GTR19181472Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19181472Size:5 mg
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Description
Geraldol (CAS 21511-25-1) is a natural product used in life science research. It serves as a research tool for in vitro studies, particularly in the fields of biochemistry and pharmacology, where it is investigated for its biological activities.
CAS Number
21511-25-1
Smiles
O=C1C (O) =C (OC2=CC (O) =CC=C12) C=3C=CC (O) =C (OC) C3
Molecular Formula
C16H12O6
Molecular Weight
300.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Geraldol

Geraldol has been reported in Anthyllis vulneraria, Strychnos spinosa, and other organisms with data available.

CAS Number21511-25-1
PubChem CID5482101
IUPAC Name3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Molecular FormulaC16H12O6
Molecular Weight300.26
XLogP2.3
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity473
SMILES
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O
InChI
InChI=1S/C16H12O6/c1-21-13-6-8(2-5-11(13)18)16-15(20)14(19)10-4-3-9(17)7-12(10)22-16/h2-7,17-18,20H,1H3
InChIKey
WRFQRUBJBPLPAM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Geraldol
CAS: 21511-25-1
CID: 5482101
Formula: C16H12O6
MW: 300.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.26
XLogP32.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass300.06338810
Monoisotopic Mass300.06338810
Topological Polar Surface Area96.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity473
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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