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3,4-Benzocoumarin

CAT: 0127-OR1007712-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1007712-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2005-10-9
Purity
98%
Smiles
O=C1C2=CC=CC=C2C3=CC=CC=C3O1

Chemical Information

6H-dibenzo(b,d)pyran-6-one

6H-dibenzo[b,d]pyran-6-one is a benzochromenone that is 6H-dibenzo[b,d]pyran substituted by an oxo group at position 6. It has a role as a plant metabolite.

CAS Number2005-10-9
PubChem CID16173
IUPAC Namebenzo[c]chromen-6-one
Molecular FormulaC13H8O2
Molecular Weight196.20
XLogP3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity261
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3OC2=O
InChI
InChI=1S/C13H8O2/c14-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8H
InChIKey
TVKNXKLYVUVOCV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6H-dibenzo(b,d)pyran-6-one
CAS: 2005-10-9
CID: 16173
Formula: C13H8O2
MW: 196.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.20
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass196.052429494
Monoisotopic Mass196.052429494
Topological Polar Surface Area26.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity261
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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Alternative Products

CatalogName
PDK0111-013,4-Benzocoumarin
MBS3844409-013, 4-Benzocoumarin
A19957-103,4-Benzocoumarin 10mg
A19957-503,4-Benzocoumarin 50mg
A19957-1003,4-Benzocoumarin 100mg
sc-2391247-Nitro-3,4-benzocoumarin
sc-2335286-Amino-3,4-benzocoumarin
TRC-M318855-2.5MGMethyl 9-maleinimido-8-methoxy-6,7-benzocoumarin-3-carboxylate
TRC-M318845-50MGMethyl 9-Amino-8-methoxy-6,7-benzocoumarin-3-carboxylate
TRC-M313210-25MGMethyl 8-Methoxy-6,7-benzocoumarin-3-carboxylate N-4-Oxobut-2-enoic Acid

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