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7-Hydroxy-2,2-dimethylchromene

CAT: 0804-HY-N8855Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N8855Size:1 Each
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Description
7-Hydroxy-2,2-dimethylchromene is a Phenols product that can be isolated from the herbs of Centaurea solstitialis L.[1].
CAS Number
19012-97-6
UNSPSC
12352005
Hazard Statement
H302-H312-H332
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/7-hydroxy-2-2-dimethylchromene.html
Smiles
OC1=CC2=C(C=CC(C)(C)O2)C=C1
Molecular Formula
C11H12O2
Molecular Weight
176.21
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

7-Hydroxy-2,2-dimethylchromene
CAS Number19012-97-6
PubChem CID14339591
IUPAC Name2,2-dimethylchromen-7-ol
Molecular FormulaC11H12O2
Molecular Weight176.21
XLogP3
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity220
SMILES
CC1(C=CC2=C(O1)C=C(C=C2)O)C
InChI
InChI=1S/C11H12O2/c1-11(2)6-5-8-3-4-9(12)7-10(8)13-11/h3-7,12H,1-2H3
InChIKey
GFXPDSJDSLEZTB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Hydroxy-2,2-dimethylchromene
CAS: 19012-97-6
CID: 14339591
Formula: C11H12O2
MW: 176.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.21
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass176.083729621
Monoisotopic Mass176.083729621
Topological Polar Surface Area29.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity220
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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