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Bucromarone

CAT: 0926-DDA37166-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-DDA37166-02Size:50 mg
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CAS Number
78371-66-1
Smiles
CCCCN (CCCC) CCCOC1=C (C=C (C=C1C) C (=O) C2=CC (=O) C3=CC=CC=C3O2) C
Molecular Formula
C29H37NO4
Molecular Weight
463.6 g/mol
Controlled
No

Chemical Information

Bucromarone

Bucromarone is an aromatic ketone.

CAS Number78371-66-1
PubChem CID132852
IUPAC Name2-[4-[3-(dibutylamino)propoxy]-3,5-dimethylbenzoyl]chromen-4-one
Molecular FormulaC29H37NO4
Molecular Weight463.6
XLogP6.7
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count34
Formal Charge0
Complexity670
SMILES
CCCCN(CCCC)CCCOC1=C(C=C(C=C1C)C(=O)C2=CC(=O)C3=CC=CC=C3O2)C
InChI
InChI=1S/C29H37NO4/c1-5-7-14-30(15-8-6-2)16-11-17-33-29-21(3)18-23(19-22(29)4)28(32)27-20-25(31)24-12-9-10-13-26(24)34-27/h9-10,12-13,18-20H,5-8,11,14-17H2,1-4H3
InChIKey
DYGLNTZLBQBOPT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bucromarone
CAS: 78371-66-1
CID: 132852
Formula: C29H37NO4
MW: 463.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.6
XLogP36.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass463.27225866
Monoisotopic Mass463.27225866
Topological Polar Surface Area55.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity670
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

Alternative Products

CatalogName
TRC-B694985-100MGBucromarone

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